4-(5-nitropyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-(5-nitropyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(5-nitropyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-(5-nitro-2-pyridin-1-iumyl)-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(5-nitropyridin-1-ium-2-yl)-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(5-nitropyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide Formula: C16H18N5O3+ MolecularWeight: 328.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3/c22-16(18-13-4-2-1-3-5-13)20-10-8-19(9-11-20)15-7-6-14(12-17-15)21(23)24/h1-7,12H,8-11H2,(H,18,22)/p+1