[4-[[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]benzyl]-diethyl-ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C21H29N3O2/c1-6-24(7-2)13-18-10-8-17(9-11-18)12-22-21(26)20-14(3)19(16(5)25)15(4)23-20/h8-11,23H,6-7,12-13H2,1-5H3,(H,22,26)/p+1