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

Systemtic Name: 4-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methyl-N-[3-(1-piperidin-1-iumyl)propyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-3-pyrrolidinosulfonyl-benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)N3CCCC3

InChI

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