(4-tert-butylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (4-tert-butylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-tert-butylphenyl)methanethione CAS Name: (4-tert-butylphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-tert-butylphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-tert-butylphenyl)methanethione Formula: C22H29N2S+ MolecularWeight: 353.54406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2S/c1-22(2,3)20-11-9-19(10-12-20)21(25)24-15-13-23(14-16-24)17-18-7-5-4-6-8-18/h4-12H,13-17H2,1-3H3/p+1