N-[4-(azepan-1-ylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H29N3O3S/c23-19(16-21-12-4-3-5-13-21)20-17-8-10-18(11-9-17)26(24,25)22-14-6-1-2-7-15-22/h8-11H,1-7,12-16H2,(H,20,23)/p+1