[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: phenyl-[2-(4-veratrylpiperazin-4-ium-1-carbonyl)phenyl]methanone Formula: C27H29N2O4+ MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O4/c1-32-24-13-12-20(18-25(24)33-2)19-28-14-16-29(17-15-28)27(31)23-11-7-6-10-22(23)26(30)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3/p+1