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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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