3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-8-ethyl-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-8-ethyl-2-methyl-1H-quinolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-8-ethyl-2-methyl-1H-quinolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-8-ethyl-2-methyl-1H-quinolin-4-one IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-8-ethyl-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-8-ethyl-2-methyl-4-quinolone Formula: C30H35N3O+2 MolecularWeight: 453.6184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

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