(2-nitrophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-nitrophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone CAS Name: (2-nitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3/c22-18(16-8-4-5-9-17(16)21(23)24)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9H,10-14H2/p+1