N-(4-nitrophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-nitrophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-nitrophenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-nitrophenyl)-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-nitrophenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-nitrophenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c23-17(19-15-3-5-16(6-4-15)22(24)25)21-10-8-20(9-11-21)13-14-2-1-7-18-12-14/h1-7,12H,8-11,13H2,(H,19,23)/p+1