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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C20H31N3O3S/c24-20(21-12-7-15-22-13-5-6-14-22)18-8-10-19(11-9-18)27(25,26)23-16-3-1-2-4-17-23/h8-11H,1-7,12-17H2,(H,21,24)/p+1