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

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-methoxyphenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-methoxyphenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(4-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-methoxyphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(4-methoxyphenyl)propionamide Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCCCCC2

InChI

InChI=1S/C16H24N2O2/c1-13(18-11-5-3-4-6-12-18)16(19)17-14-7-9-15(20-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1