(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]methanone Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C26H29N3O2/c1-18-7-10-25(31-2)20(15-18)17-28-11-13-29(14-12-28)26(30)22-16-24(19-8-9-19)27-23-6-4-3-5-21(22)23/h3-7,10,15-16,19H,8-9,11-14,17H2,1-2H3/p+1