2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-(4-nitrophenyl)-1,3-thiazole

Systemtic Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-(4-nitrophenyl)-1,3-thiazole Openeye Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-(4-nitrophenyl)thiazole CAS Name: 2-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]-4-(4-nitrophenyl)thiazole IUPAC Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-(4-nitrophenyl)-1,3-thiazole Traditional Name: 2-[4-(2-methylquinolin-1-ium-4-yl)piperazino]-4-(4-nitrophenyl)thiazole Formula: C23H22N5O2S+ MolecularWeight: 432.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O2S/c1-16-14-22(19-4-2-3-5-20(19)24-16)26-10-12-27(13-11-26)23-25-21(15-31-23)17-6-8-18(9-7-17)28(29)30/h2-9,14-15H,10-13H2,1H3/p+1