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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC(C1=CC=C(C=C1)C)[NH+]2CCCCCC2

Isomeric SMILES

CCCC(=O)NC[C@@H](C1=CC=C(C=C1)C)[NH+]2CCCCCC2

InChI

InChI=1S/C19H30N2O/c1-3-8-19(22)20-15-18(17-11-9-16(2)10-12-17)21-13-6-4-5-7-14-21/h9-12,18H,3-8,13-15H2,1-2H3,(H,20,22)/p+1/t18-/m0/s1