1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-quinolin-8-yloxy-ethanone

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-quinolin-8-yloxy-ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-(8-quinolyloxy)ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-(8-quinolinyloxy)ethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-quinolin-8-yloxyethanone Traditional Name: 1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-2-(8-quinolyloxy)ethanone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-18-5-2-6-19(15-18)16-25-11-13-26(14-12-25)22(27)17-28-21-9-3-7-20-8-4-10-24-23(20)21/h2-10,15H,11-14,16-17H2,1H3/p+1