[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-nitro-2-thienyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-nitrothiophen-2-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(5-nitro-2-thienyl)methanone Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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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=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3S/c26-22(19-11-12-20(29-19)25(27)28)24-15-13-23(14-16-24)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2/p+1