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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-thienyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-thienyl)methanone Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N2OS/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2/p+1