2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-(4-phenylcyclohexyl)azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-(4-phenylcyclohexyl)azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-(4-phenylcyclohexyl)ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-(4-phenylcyclohexyl)ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-(4-phenylcyclohexyl)azanium Traditional Name: (4-phenylcyclohexyl)-[2-(veratroylamino)ethyl]ammonium Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]C2CCC(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]C2CCC(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H30N2O3/c1-27-21-13-10-19(16-22(21)28-2)23(26)25-15-14-24-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-7,10,13,16,18,20,24H,8-9,11-12,14-15H2,1-2H3,(H,25,26)/p+1