6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diisopropyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-sulfonamide CAS Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N,N-di(propan-2-yl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(4-methyl-1,4-diazepan-4-ium-1-yl)-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diisopropyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Formula: C17H32N4O2S+2 MolecularWeight: 356.52658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC[NH+](CC2)C

Isomeric SMILES

CC(C)N(C(C)C)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC[NH+](CC2)C

InChI

InChI=1S/C17H30N4O2S/c1-14(2)21(15(3)4)24(22,23)16-7-8-17(18-13-16)20-10-6-9-19(5)11-12-20/h7-8,13-15H,6,9-12H2,1-5H3/p+2