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

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]methanone Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5)OC)OC

InChI

InChI=1S/C27H31N3O3/c1-18-14-25(32-2)26(33-3)15-20(18)17-29-10-12-30(13-11-29)27(31)22-16-24(19-8-9-19)28-23-7-5-4-6-21(22)23/h4-7,14-16,19H,8-13,17H2,1-3H3/p+1