3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]propyl-tert-butyl-azanium

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]propyl-tert-butyl-azanium Openeye Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]propyl-tert-butyl-ammonium CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]propyl-tert-butylammonium IUPAC Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]propyl-tert-butylazanium Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]propyl-tert-butyl-ammonium Formula: C21H34N4OS+2 MolecularWeight: 390.58586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H32N4OS/c1-21(2,3)23-12-6-11-22-19(26)15-25-13-9-16(10-14-25)20-24-17-7-4-5-8-18(17)27-20/h4-5,7-8,16,23H,6,9-15H2,1-3H3,(H,22,26)/p+2