4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c23-19(20-11-16-21-12-5-6-13-21)17-7-9-18(10-8-17)26(24,25)22-14-3-1-2-4-15-22/h7-10H,1-6,11-16H2,(H,20,23)/p+1