3-(2,3-dimethoxyphenyl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(2,3-dimethoxyphenyl)-1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3/c1-19(2)21-10-8-20(9-11-21)18-26-14-16-27(17-15-26)24(28)13-12-22-6-5-7-23(29-3)25(22)30-4/h5-11,19H,12-18H2,1-4H3/p+1