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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c23-19(20-8-11-21-12-14-26-15-13-21)17-6-5-7-18(16-17)27(24,25)22-9-3-1-2-4-10-22/h5-7,16H,1-4,8-15H2,(H,20,23)/p+1