4-(3,4-dimethylphenyl)-2-(2-piperazin-4-ium-1-ylethyl)-1,3-thiazole

Systemtic Name: 4-(3,4-dimethylphenyl)-2-(2-piperazin-4-ium-1-ylethyl)-1,3-thiazole Openeye Name: 4-(3,4-dimethylphenyl)-2-(2-piperazin-4-ium-1-ylethyl)thiazole CAS Name: 4-(3,4-dimethylphenyl)-2-[2-(1-piperazin-4-iumyl)ethyl]thiazole IUPAC Name: 4-(3,4-dimethylphenyl)-2-(2-piperazin-4-ium-1-ylethyl)-1,3-thiazole Traditional Name: 4-(3,4-dimethylphenyl)-2-(2-piperazin-4-ium-1-ylethyl)thiazole Formula: C17H24N3S+ MolecularWeight: 302.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)CCN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)CCN3CC[NH2+]CC3)C

InChI

InChI=1S/C17H23N3S/c1-13-3-4-15(11-14(13)2)16-12-21-17(19-16)5-8-20-9-6-18-7-10-20/h3-4,11-12,18H,5-10H2,1-2H3/p+1