2,7,8-trimethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2,7,8-trimethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,7,8-trimethyl-1H-quinolin-4-one CAS Name: 2,7,8-trimethyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,7,8-trimethyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2,7,8-trimethyl-4-quinolone Formula: C24H31N3O+2 MolecularWeight: 377.52244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O/c1-17-9-10-21-23(18(17)2)25-19(3)22(24(21)28)16-27-13-11-26(12-14-27)15-20-7-5-4-6-8-20/h4-10H,11-16H2,1-3H3,(H,25,28)/p+2