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

Systemtic Name: dimethylamino-[2-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoylimino]-4-methyl-1,3-thiazol-5-ylidene]methanolate Openeye Name: [2-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]imino-4-methyl-thiazol-5-ylidene]-(dimethylamino)methanolate CAS Name: dimethylamino-[2-[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]imino-4-methyl-5-thiazolylidene]methanolate IUPAC Name: [2-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]imino-4-methyl-1,3-thiazol-5-ylidene]-(dimethylamino)methanolate Traditional Name: [2-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]imino-4-methyl-3-thiazolin-5-ylidene]-(dimethylamino)methanolate Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)SC1=C(N(C)C)[O-]

Isomeric SMILES

CC1=NC(=NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)SC1=C(N(C)C)[O-]

InChI

InChI=1S/C26H31N5O2S/c1-19-24(25(33)29(2)3)34-26(27-19)28-22(32)18-30-14-16-31(17-15-30)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,23,33H,14-18H2,1-3H3