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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-(2-quinolyl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2-quinolinyl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(2-quinolyl)methanone Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O/c1-17-5-4-6-18(15-17)16-24-11-13-25(14-12-24)22(26)21-10-9-19-7-2-3-8-20(19)23-21/h2-10,15H,11-14,16H2,1H3/p+1