2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxycarbonylphenyl)carbonylpiperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxycarbonylphenyl)carbonylpiperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxycarbonylbenzoyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-methoxycarbonylphenyl)-oxomethyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(2-methoxycarbonylbenzoyl)piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-(2-carbomethoxybenzoyl)-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H32N2O5/c1-26(15-13-18-11-12-22(30-2)23(16-18)31-3)19-8-7-14-27(17-19)24(28)20-9-5-6-10-21(20)25(29)32-4/h5-6,9-12,16,19H,7-8,13-15,17H2,1-4H3/p+1/t19-/m0/s1