2-(naphthalen-1-ylamino)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(naphthalen-1-ylamino)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-naphthylamino)-N-(2-pyrrolidin-1-ium-1-ylethyl)thiazole-4-carboxamide CAS Name: 2-(1-naphthalenylamino)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-(naphthalen-1-ylamino)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(1-naphthylamino)-N-(2-pyrrolidin-1-ium-1-ylethyl)thiazole-4-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CSC(=N2)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CSC(=N2)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H22N4OS/c25-19(21-10-13-24-11-3-4-12-24)18-14-26-20(23-18)22-17-9-5-7-15-6-1-2-8-16(15)17/h1-2,5-9,14H,3-4,10-13H2,(H,21,25)(H,22,23)/p+1