3-(azepan-1-ylsulfonyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpiperidin-1-ium-4-yl)benzamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c29-25(26-23-13-17-27(18-14-23)20-21-9-4-3-5-10-21)22-11-8-12-24(19-22)32(30,31)28-15-6-1-2-7-16-28/h3-5,8-12,19,23H,1-2,6-7,13-18,20H2,(H,26,29)/p+1