dimethylamino-[4-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylimino]-1,3-thiazol-5-ylidene]methanolate

Systemtic Name: dimethylamino-[4-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylimino]-1,3-thiazol-5-ylidene]methanolate Openeye Name: dimethylamino-[4-methyl-2-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]imino-thiazol-5-ylidene]methanolate CAS Name: dimethylamino-[4-methyl-2-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]imino-5-thiazolylidene]methanolate IUPAC Name: dimethylamino-[4-methyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]imino-1,3-thiazol-5-ylidene]methanolate Traditional Name: dimethylamino-[4-methyl-2-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]imino-3-thiazolin-5-ylidene]methanolate Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N=C3N=C(C(=C(N(C)C)[O-])S3)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N=C3N=C(C(=C(N(C)C)[O-])S3)C

InChI

InChI=1S/C20H27N5O2S/c1-14-7-5-6-8-16(14)25-11-9-24(10-12-25)13-17(26)22-20-21-15(2)18(28-20)19(27)23(3)4/h5-8,27H,9-13H2,1-4H3