1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-isopropylbenzoyl)piperazin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 2-(4-cumoylpiperazin-1-ium-1-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c1-21(2)22-8-10-25(11-9-22)27(32)30-18-16-28(17-19-30)20-26(31)29-14-12-24(13-15-29)23-6-4-3-5-7-23/h3-12,21H,13-20H2,1-2H3/p+1