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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O3S/c20-17-8-7-16(19(24)21-9-14-22-10-5-6-11-22)15-18(17)27(25,26)23-12-3-1-2-4-13-23/h7-8,15H,1-6,9-14H2,(H,21,24)/p+1