2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(1R,3S)-3-methylcyclohexyl]azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-[(1R,3S)-3-methylcyclohexyl]azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(1R,3S)-3-methylcyclohexyl]ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-[(1R,3S)-3-methylcyclohexyl]ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-[(1R,3S)-3-methylcyclohexyl]azanium Traditional Name: [(1R,3S)-3-methylcyclohexyl]-[2-(veratroylamino)ethyl]ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH2+]CCNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH2+]CCNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H28N2O3/c1-13-5-4-6-15(11-13)19-9-10-20-18(21)14-7-8-16(22-2)17(12-14)23-3/h7-8,12-13,15,19H,4-6,9-11H2,1-3H3,(H,20,21)/p+1/t13-,15+/m0/s1