2-[(3-methylphenyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(3-methylphenyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(3-methylanilino)-N-(2-morpholin-4-ium-4-ylethyl)thiazole-4-carboxamide CAS Name: 2-(3-methylanilino)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-(3-methylanilino)-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(m-toluidino)thiazole-4-carboxamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H22N4O2S/c1-13-3-2-4-14(11-13)19-17-20-15(12-24-17)16(22)18-5-6-21-7-9-23-10-8-21/h2-4,11-12H,5-10H2,1H3,(H,18,22)(H,19,20)/p+1