[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methyl-2-phenyl-quinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methyl-2-phenyl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methyl-2-phenyl-4-quinolyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(6-methyl-2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methyl-2-phenylquinolin-4-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(6-methyl-2-phenyl-4-quinolyl)methanone Formula: C29H27N4OS+ MolecularWeight: 479.61588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

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