2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methylphenyl)carbamoyl]piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methylphenyl)carbamoyl]piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(m-tolylcarbamoyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methylanilino)-oxomethyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methylphenyl)carbamoyl]piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(m-tolylcarbamoyl)-3-piperidyl]ammonium Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H33N3O3/c1-18-7-5-8-20(15-18)25-24(28)27-13-6-9-21(17-27)26(2)14-12-19-10-11-22(29-3)23(16-19)30-4/h5,7-8,10-11,15-16,21H,6,9,12-14,17H2,1-4H3,(H,25,28)/p+1/t21-/m0/s1