2-methyl-5-piperidin-1-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 2-methyl-5-(1-piperidylsulfonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 2-methyl-5-piperidinosulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCC[NH+]3CCCC3

InChI

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