[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(p-tolyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[2-(4-methylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(p-tolyl)-4-quinolyl]methanone Formula: C29H27N4OS+ MolecularWeight: 479.61588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H26N4OS/c1-20-10-12-21(13-11-20)26-18-23(22-6-2-3-7-24(22)30-26)29(34)33-16-14-32(15-17-33)19-28-31-25-8-4-5-9-27(25)35-28/h2-13,18H,14-17,19H2,1H3/p+1