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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C21H33N3O3S/c1-18-9-10-19(28(26,27)24-15-4-2-3-5-16-24)17-20(18)21(25)22-11-8-14-23-12-6-7-13-23/h9-10,17H,2-8,11-16H2,1H3,(H,22,25)/p+1