1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-but-2-en-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-methyl-2-buten-1-one IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methylbut-2-en-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-but-2-en-1-one Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC(=CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O/c1-18(2)17-21(25)23-13-15-24(16-14-23)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3/p+1