3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C23H30ClN4O3S+ MolecularWeight: 478.0273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4)Cl

InChI

InChI=1S/C23H29ClN4O3S/c24-20-8-7-19(16-21(20)32(30,31)28-13-3-1-2-4-14-28)23(29)26-17-18-9-10-25-22(15-18)27-11-5-6-12-27/h7-10,15-16H,1-6,11-14,17H2,(H,26,29)/p+1