methoxycarbonyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-phenyl-propanoyl-azanium; piperidine

Systemtic Name: methoxycarbonyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-phenyl-propanoyl-azanium; piperidine Openeye Name: methoxycarbonyl-[2-(4-methylthiazol-5-yl)ethyl]-phenyl-propanoyl-ammonium; piperidine CAS Name: methoxycarbonyl-[2-(4-methyl-5-thiazolyl)ethyl]-(1-oxopropyl)-phenylammonium; piperidine IUPAC Name: methoxycarbonyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-phenyl-propanoylazanium; piperidine Traditional Name: carbomethoxy-[2-(4-methylthiazol-5-yl)ethyl]-phenyl-propionyl-ammonium; piperidine Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](CCC1=C(N=CS1)C)(C2=CC=CC=C2)C(=O)OC.C1CCNCC1

Isomeric SMILES

CCC(=O)[N+](CCC1=C(N=CS1)C)(C2=CC=CC=C2)C(=O)OC.C1CCNCC1

InChI

InChI=1S/C17H21N2O3S.C5H11N/c1-4-16(20)19(17(21)22-3,14-8-6-5-7-9-14)11-10-15-13(2)18-12-23-15;1-2-4-6-5-3-1/h5-9,12H,4,10-11H2,1-3H3;6H,1-5H2/q+1;