[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-ethylsulfanylphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-ethylsulfanylphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-ethylsulfanylphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(ethylthio)phenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-ethylsulfanylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(ethylthio)phenyl]methanone Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c1-2-30-24-16-10-9-15-23(24)26(29)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