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

Systemtic Name: (4-methoxyphenyl)-[6-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-1-ium-3-yl]methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)-6-methoxy-quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone CAS Name: (4-methoxyphenyl)-[6-methoxy-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolin-1-iumyl]methanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)-6-methoxyquinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-(4-benzylpiperazino)-6-methoxy-quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Formula: C29H30N3O3+ MolecularWeight: 468.5668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N3O3/c1-34-23-10-8-22(9-11-23)29(33)26-19-30-27-13-12-24(35-2)18-25(27)28(26)32-16-14-31(15-17-32)20-21-6-4-3-5-7-21/h3-13,18-19H,14-17,20H2,1-2H3/p+1