[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [4-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-(4,5-dimethylthiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-(4,5-dimethyl-2-thiazolyl)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-(4,5-dimethylthiazol-2-yl)phenyl]-piperazin-4-ium-1-yl-methanone Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)C(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C16H19N3OS/c1-11-12(2)21-15(18-11)13-3-5-14(6-4-13)16(20)19-9-7-17-8-10-19/h3-6,17H,7-10H2,1-2H3/p+1