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

Systemtic Name: [4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(4-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=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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