3-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-propoxy-pyrazol-1-ium-1-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-propoxy-pyrazol-1-ium-1-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-propoxy-pyrazol-1-ium-1-amine CAS Name: 3-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-propoxy-1-pyrazol-1-iumamine IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-propoxypyrazol-1-ium-1-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-1-homoveratryl-5-propoxy-pyrazol-1-ium-1-yl]-methyl-amine Formula: C25H34N3O5+ MolecularWeight: 456.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=N[N+]1(CCC2=CC(=C(C=C2)OC)OC)NC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCOC1=CC(=N[N+]1(CCC2=CC(=C(C=C2)OC)OC)NC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H34N3O5/c1-7-14-33-25-17-20(19-9-11-22(30-4)24(16-19)32-6)27-28(25,26-2)13-12-18-8-10-21(29-3)23(15-18)31-5/h8-11,15-17,26H,7,12-14H2,1-6H3/q+1