4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-(4-methylpiperidino)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-18-10-16-24(17-11-18)28(26,27)20-8-6-19(7-9-20)21(25)22-12-5-15-23-13-3-2-4-14-23/h6-9,18H,2-5,10-17H2,1H3,(H,22,25)/p+1