(7-methoxy-2-methyl-quinolin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (7-methoxy-2-methyl-quinolin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (7-methoxy-2-methyl-3-quinolyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (7-methoxy-2-methyl-3-quinolinyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (7-methoxy-2-methylquinolin-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (7-methoxy-2-methyl-3-quinolyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(N=C4C=C(C=CC4=C3)OC)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(N=C4C=C(C=CC4=C3)OC)C

InChI

InChI=1S/C24H27N3O2/c1-17-6-4-5-7-20(17)16-26-10-12-27(13-11-26)24(28)22-14-19-8-9-21(29-3)15-23(19)25-18(22)2/h4-9,14-15H,10-13,16H2,1-3H3/p+1