N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-propanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-propanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-methyl-propanamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-2-methylpropanamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-methylpropanamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-methyl-propionamide Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C(C)C)[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C(C)C)[NH+]2CCCCCC2

InChI

InChI=1S/C19H30N2O/c1-15(2)19(22)20-14-18(17-10-8-16(3)9-11-17)21-12-6-4-5-7-13-21/h8-11,15,18H,4-7,12-14H2,1-3H3,(H,20,22)/p+1/t18-/m0/s1