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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]azanium Traditional Name: homoveratryl-[4-(2-keto-2-piperidino-ethoxy)-3-methoxy-benzyl]ammonium Formula: C25H35N2O5+ MolecularWeight: 443.5558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OC)OC

InChI

InChI=1S/C25H34N2O5/c1-29-21-9-7-19(15-23(21)30-2)11-12-26-17-20-8-10-22(24(16-20)31-3)32-18-25(28)27-13-5-4-6-14-27/h7-10,15-16,26H,4-6,11-14,17-18H2,1-3H3/p+1