N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-cyclopropyl-N-[[2-(4-ethanoylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-1,3-thiazole-5-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-thiazole-5-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-cyclopropyl-5-thiazolecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-cyclopropyl-thiazole-5-carboxamide Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CN=CS4)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C3CC3)C(=O)C4=CN=CS4)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C24H27N5O2S/c1-16-3-4-18-12-19(14-29(20-5-6-20)24(31)22-13-25-15-32-22)23(26-21(18)11-16)28-9-7-27(8-10-28)17(2)30/h3-4,11-13,15,20H,5-10,14H2,1-2H3/p+1