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

Systemtic Name: dimethylamino-[2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylimino]-4-methyl-1,3-thiazol-5-ylidene]methanolate Openeye Name: dimethylamino-[2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]imino-4-methyl-thiazol-5-ylidene]methanolate CAS Name: dimethylamino-[2-[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]imino-4-methyl-5-thiazolylidene]methanolate IUPAC Name: dimethylamino-[2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]imino-4-methyl-1,3-thiazol-5-ylidene]methanolate Traditional Name: dimethylamino-[2-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]imino-4-methyl-3-thiazolin-5-ylidene]methanolate Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)SC1=C(N(C)C)[O-]

Isomeric SMILES

CC1=NC(=NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)SC1=C(N(C)C)[O-]

InChI

InChI=1S/C20H27N5O3S/c1-14-18(19(27)23(2)3)29-20(21-14)22-17(26)13-24-8-10-25(11-9-24)15-6-5-7-16(12-15)28-4/h5-7,12,27H,8-11,13H2,1-4H3