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

Systemtic Name: [4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-17(2)19-8-6-18(7-9-19)16-25-12-14-26(15-13-25)24(27)20-10-11-21(28-3)23(30-5)22(20)29-4/h6-11,17H,12-16H2,1-5H3/p+1