1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(4-p-anisylpiperazin-4-ium-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C24H33N2O5+ MolecularWeight: 429.52922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C24H32N2O5/c1-28-20-8-5-18(6-9-20)17-25-11-13-26(14-12-25)23(27)10-7-19-15-21(29-2)24(31-4)22(16-19)30-3/h5-6,8-9,15-16H,7,10-14,17H2,1-4H3/p+1