(4-ethoxyphenyl)-[6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone

Systemtic Name: (4-ethoxyphenyl)-[6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone Openeye Name: (4-ethoxyphenyl)-[6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone CAS Name: (4-ethoxyphenyl)-[6-methoxy-4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-quinolin-1-iumyl]methanone IUPAC Name: (4-ethoxyphenyl)-[6-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone Traditional Name: [6-methoxy-4-[4-(4-methoxyphenyl)piperazino]quinolin-1-ium-3-yl]-p-phenetyl-methanone Formula: C30H32N3O4+ MolecularWeight: 498.59278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)OC)OC

InChI

InChI=1S/C30H31N3O4/c1-4-37-24-9-5-21(6-10-24)30(34)27-20-31-28-14-13-25(36-3)19-26(28)29(27)33-17-15-32(16-18-33)22-7-11-23(35-2)12-8-22/h5-14,19-20H,4,15-18H2,1-3H3/p+1