[2-(3-ethoxyphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(3-ethoxyphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(3-ethoxyphenyl)-4-quinolyl]methanone CAS Name: [2-(3-ethoxyphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-m-phenetyl-4-quinolyl)methanone Formula: C29H30N3O2+ MolecularWeight: 452.5674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-2-34-24-12-8-11-23(19-24)28-20-26(25-13-6-7-14-27(25)30-28)29(33)32-17-15-31(16-18-32)21-22-9-4-3-5-10-22/h3-14,19-20H,2,15-18,21H2,1H3/p+1