2-[(R)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-1,3-thiazole

Systemtic Name: 2-[(R)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-1,3-thiazole Openeye Name: 2-[(R)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole CAS Name: 2-[(R)-(4-tert-butylphenyl)-(1-piperazin-4-iumyl)methyl]-4-methylthiazole IUPAC Name: 2-[(R)-(4-tert-butylphenyl)-piperazin-4-ium-1-ylmethyl]-4-methyl-1,3-thiazole Traditional Name: 2-[(R)-(4-tert-butylphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole Formula: C19H28N3S+ MolecularWeight: 330.51072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C2=CC=C(C=C2)C(C)(C)C)N3CC[NH2+]CC3

InChI

InChI=1S/C19H27N3S/c1-14-13-23-18(21-14)17(22-11-9-20-10-12-22)15-5-7-16(8-6-15)19(2,3)4/h5-8,13,17,20H,9-12H2,1-4H3/p+1/t17-/m1/s1