[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-prop-2-enoxyphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-prop-2-enoxyphenyl)methanone Openeye Name: (4-allyloxyphenyl)-(4-benzhydrylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-prop-2-enoxyphenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-prop-2-enoxyphenyl)methanone Traditional Name: (4-allyloxyphenyl)-(4-benzhydrylpiperazin-4-ium-1-yl)methanone Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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