cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]-p-anisyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C21H26N2O2/c1-16(18-6-4-3-5-7-18)22-21(24)15-23(19-10-11-19)14-17-8-12-20(25-2)13-9-17/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1