[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone

Systemtic Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone Openeye Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[6-methyl-2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(6-methyl-2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: (4-m-anisylpiperazin-4-ium-1-yl)-[6-methyl-2-(4-pyridyl)-4-quinolyl]methanone Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)OC)C5=CC=NC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)OC)C5=CC=NC=C5

InChI

InChI=1S/C28H28N4O2/c1-20-6-7-26-24(16-20)25(18-27(30-26)22-8-10-29-11-9-22)28(33)32-14-12-31(13-15-32)19-21-4-3-5-23(17-21)34-2/h3-11,16-18H,12-15,19H2,1-2H3/p+1