[(1S)-2-[(4-butoxyphenyl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-butoxyphenyl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-butoxybenzoyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-butoxybenzoyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C21H28N2O2/c1-4-5-15-25-19-13-11-18(12-14-19)21(24)22-16-20(23(2)3)17-9-7-6-8-10-17/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)/p+1/t20-/m1/s1