[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-ethoxyphenyl)methanethione

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-ethoxyphenyl)methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-ethoxyphenyl)methanethione CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(2-ethoxyphenyl)methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-ethoxyphenyl)methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-o-phenetyl-methanethione Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c1-2-29-24-16-10-9-15-23(24)26(30)28-19-17-27(18-20-28)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3/p+1