3-[[4-[[4-[(4-acetamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[[4-[(4-acetamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[[4-[(4-acetamido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[[[4-[[(4-acetamido-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[[4-[(4-acetamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[[4-[(4-acetamido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium Formula: C25H35N8O4+ MolecularWeight: 511.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC[NH+](C)C)C)C)C

Isomeric SMILES

CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC[NH+](C)C)C)C)C

InChI

InChI=1S/C25H34N8O4/c1-16(34)27-17-10-21(32(5)13-17)24(36)29-19-12-22(33(6)15-19)25(37)28-18-11-20(31(4)14-18)23(35)26-8-7-9-30(2)3/h10-15H,7-9H2,1-6H3,(H,26,35)(H,27,34)(H,28,37)(H,29,36)/p+1