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

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-thiazole CAS Name: 2-[4-[(4-tert-butylphenyl)methyl]-1-piperazin-4-iumyl]-4-phenylthiazole IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Traditional Name: 2-[4-(4-tert-butylbenzyl)piperazin-4-ium-1-yl]-4-phenyl-thiazole Formula: C24H30N3S+ MolecularWeight: 392.5801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3S/c1-24(2,3)21-11-9-19(10-12-21)17-26-13-15-27(16-14-26)23-25-22(18-28-23)20-7-5-4-6-8-20/h4-12,18H,13-17H2,1-3H3/p+1