N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(3-nitrophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C16H18N5O3+ MolecularWeight: 328.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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