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

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(4-nitrophenyl)methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanethione Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2S/c28-27(29)22-13-11-21(12-14-22)24(30)26-17-15-25(16-18-26)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2/p+1