(3,5-dimethylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)C

InChI

InChI=1S/C23H25N3O/c1-17-13-18(2)15-21(14-17)23(27)26-11-9-25(10-12-26)16-20-6-3-5-19-7-4-8-24-22(19)20/h3-8,13-15H,9-12,16H2,1-2H3/p+1