(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidinosulfonylphenyl)propionamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17(22-13-5-2-3-6-14-22)20(24)21-18-9-11-19(12-10-18)27(25,26)23-15-7-4-8-16-23/h9-12,17H,2-8,13-16H2,1H3,(H,21,24)/p+1/t17-/m1/s1