3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-methoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-methoxy-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-methoxy-2-methyl-4-quinolone Formula: C29H33N3O2+2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c1-21-26(29(33)25-19-24(34-2)13-14-27(25)30-21)20-31-15-17-32(18-16-31)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,28H,15-18,20H2,1-2H3,(H,30,33)/p+2