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

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-ethyl-2-methyl-1H-quinolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-ethyl-2-methyl-1H-quinolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-ethyl-2-methyl-1H-quinolin-4-one IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-ethyl-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-ethyl-2-methyl-4-quinolone Formula: C30H35N3O+2 MolecularWeight: 453.6184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H33N3O/c1-3-23-14-15-28-26(20-23)30(34)27(22(2)31-28)21-32-16-18-33(19-17-32)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-15,20,29H,3,16-19,21H2,1-2H3,(H,31,34)/p+2