[4-(diphenylmethyl)piperazin-4-ium-1-yl]-[4-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-[4-(2-methylpropoxy)phenyl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-isobutoxyphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[4-(2-methylpropoxy)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(2-methylpropoxy)phenyl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-isobutoxyphenyl)methanone Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2/c1-22(2)21-32-26-15-13-25(14-16-26)28(31)30-19-17-29(18-20-30)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,22,27H,17-21H2,1-2H3/p+1