[2-(4-ethoxyphenyl)-6-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-ethoxyphenyl)-6-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-ethoxyphenyl)-6-methyl-4-quinolyl]methanone CAS Name: [2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-ethoxyphenyl)-6-methylquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(6-methyl-2-p-phenetyl-4-quinolyl)methanone Formula: C30H32N3O2+ MolecularWeight: 466.59398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2/c1-3-35-25-12-10-24(11-13-25)29-20-27(26-19-22(2)9-14-28(26)31-29)30(34)33-17-15-32(16-18-33)21-23-7-5-4-6-8-23/h4-14,19-20H,3,15-18,21H2,1-2H3/p+1