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

Systemtic Name: 2-[(S)-(4-ethylphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-1,3-thiazole Openeye Name: 2-[(S)-(4-ethylphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole CAS Name: 2-[(S)-(4-ethylphenyl)-(1-piperazin-4-iumyl)methyl]-4-methylthiazole IUPAC Name: 2-[(S)-(4-ethylphenyl)-piperazin-4-ium-1-ylmethyl]-4-methyl-1,3-thiazole Traditional Name: 2-[(S)-(4-ethylphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole Formula: C17H24N3S+ MolecularWeight: 302.45756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=NC(=CS2)C)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=NC(=CS2)C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N3S/c1-3-14-4-6-15(7-5-14)16(17-19-13(2)12-21-17)20-10-8-18-9-11-20/h4-7,12,16,18H,3,8-11H2,1-2H3/p+1/t16-/m0/s1