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

Systemtic Name: 2-[(3-methylphenyl)amino]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(3-methylanilino)-N-(2-pyrrolidin-1-ium-1-ylethyl)thiazole-4-carboxamide CAS Name: 2-(3-methylanilino)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-(3-methylanilino)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(m-toluidino)-N-(2-pyrrolidin-1-ium-1-ylethyl)thiazole-4-carboxamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=CS2)C(=O)NCC[NH+]3CCCC3

InChI

InChI=1S/C17H22N4OS/c1-13-5-4-6-14(11-13)19-17-20-15(12-23-17)16(22)18-7-10-21-8-2-3-9-21/h4-6,11-12H,2-3,7-10H2,1H3,(H,18,22)(H,19,20)/p+1