(2S)-N-(2-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-methoxyphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methoxyphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-methoxyphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H22N4O2S/c1-13(16(22)19-14-5-3-4-6-15(14)23-2)20-8-10-21(11-9-20)17-18-7-12-24-17/h3-7,12-13H,8-11H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1