(3,4-dimethoxyphenyl)-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)-[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium Traditional Name: (3,4-dimethoxyphenyl)-[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[NH2+]C(C2=CC=CC=C2)C(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[NH2+][C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-18-12-11-17(15-19(18)26-2)22-20(16-9-5-3-6-10-16)21(24)23-13-7-4-8-14-23/h3,5-6,9-12,15,20,22H,4,7-8,13-14H2,1-2H3/p+1/t20-/m0/s1