[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(3-nitrobenzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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