[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: [4-(p-tolylmethyl)piperazin-4-ium-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: [4-(4-methylbenzyl)piperazin-4-ium-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone Formula: C26H26N3OS+ MolecularWeight: 428.56914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C26H25N3OS/c1-19-8-10-20(11-9-19)18-28-12-14-29(15-13-28)26(30)22-17-24(25-7-4-16-31-25)27-23-6-3-2-5-21(22)23/h2-11,16-17H,12-15,18H2,1H3/p+1