2-[(S)-(3-ethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-thiazole

Systemtic Name: 2-[(S)-(3-ethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1,3-thiazole Openeye Name: 2-[(S)-(3-ethoxyphenyl)-piperazin-4-ium-1-yl-methyl]thiazole CAS Name: 2-[(S)-(3-ethoxyphenyl)-(1-piperazin-4-iumyl)methyl]thiazole IUPAC Name: 2-[(S)-(3-ethoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1,3-thiazole Traditional Name: 2-[(S)-m-phenetyl(piperazin-4-ium-1-yl)methyl]thiazole Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=NC=CS2)N3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@@H](C2=NC=CS2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H21N3OS/c1-2-20-14-5-3-4-13(12-14)15(16-18-8-11-21-16)19-9-6-17-7-10-19/h3-5,8,11-12,15,17H,2,6-7,9-10H2,1H3/p+1/t15-/m0/s1