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

Systemtic Name: (4-ethoxyphenyl)-[4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone Openeye Name: (4-ethoxyphenyl)-[4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone CAS Name: (4-ethoxyphenyl)-[4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-quinolin-1-iumyl]methanone IUPAC Name: (4-ethoxyphenyl)-[4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone Traditional Name: [4-[4-(4-methoxyphenyl)piperazino]quinolin-1-ium-3-yl]-p-phenetyl-methanone Formula: C29H30N3O3+ MolecularWeight: 468.5668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H29N3O3/c1-3-35-24-12-8-21(9-13-24)29(33)26-20-30-27-7-5-4-6-25(27)28(26)32-18-16-31(17-19-32)22-10-14-23(34-2)15-11-22/h4-15,20H,3,16-19H2,1-2H3/p+1