4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-7-2-3-16-23(17)27(25,26)19-10-8-18(9-11-19)20(24)21-12-6-15-22-13-4-5-14-22/h8-11,17H,2-7,12-16H2,1H3,(H,21,24)/p+1/t17-/m0/s1