[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-hexoxyphenyl)methanethione

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-hexoxyphenyl)methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-hexoxyphenyl)methanethione CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-hexoxyphenyl)methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-hexoxyphenyl)methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-hexoxyphenyl)methanethione Formula: C30H37N2OS+ MolecularWeight: 473.69258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H36N2OS/c1-2-3-4-11-24-33-28-18-16-27(17-19-28)30(34)32-22-20-31(21-23-32)29(25-12-7-5-8-13-25)26-14-9-6-10-15-26/h5-10,12-19,29H,2-4,11,20-24H2,1H3/p+1