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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C19H29ClN3O4S+ MolecularWeight: 430.96926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+]3CCOCC3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+]3CCOCC3)Cl

InChI

InChI=1S/C19H28ClN3O4S/c20-17-6-5-16(19(24)21-7-10-22-11-13-27-14-12-22)15-18(17)28(25,26)23-8-3-1-2-4-9-23/h5-6,15H,1-4,7-14H2,(H,21,24)/p+1