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

Systemtic Name: dimethylamino-[4-methyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylimino]-1,3-thiazol-5-ylidene]methanolate Openeye Name: [2-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]imino-4-methyl-thiazol-5-ylidene]-(dimethylamino)methanolate CAS Name: dimethylamino-[4-methyl-2-[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]imino-5-thiazolylidene]methanolate IUPAC Name: [2-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]imino-4-methyl-1,3-thiazol-5-ylidene]-(dimethylamino)methanolate Traditional Name: [2-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]imino-4-methyl-3-thiazolin-5-ylidene]-(dimethylamino)methanolate Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)SC1=C(N(C)C)[O-]

Isomeric SMILES

CC1=NC(=NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)SC1=C(N(C)C)[O-]

InChI

InChI=1S/C21H28N4O2S/c1-15-19(20(27)24(2)3)28-21(22-15)23-18(26)14-25-11-9-17(10-12-25)13-16-7-5-4-6-8-16/h4-8,17,27H,9-14H2,1-3H3