1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-phenyl-4-(1-veratrylpiperidin-1-ium-4-yl)piperazin-4-ium Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H33N3O2/c1-28-23-9-8-20(18-24(23)29-2)19-25-12-10-22(11-13-25)27-16-14-26(15-17-27)21-6-4-3-5-7-21/h3-9,18,22H,10-17,19H2,1-2H3/p+2