(E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2/c1-31-25-15-9-8-10-22(25)16-17-26(30)28-18-20-29(21-19-28)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-17,27H,18-21H2,1H3/p+1/b17-16+