2-methyl-5-piperidin-1-ylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methyl-5-(1-piperidylsulfonyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methyl-5-piperidin-1-ylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-methyl-5-piperidinosulfonyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-11-12-23(32(30,31)28-15-5-2-6-16-28)17-24(20)25(29)26-18-21-9-3-4-10-22(21)19-27-13-7-8-14-27/h3-4,9-12,17H,2,5-8,13-16,18-19H2,1H3,(H,26,29)/p+1