[4-(methylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-(methylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(methylamino)-3-nitrophenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c1-18-15-3-2-13(12-16(15)22(24)25)17(23)21-10-8-20(9-11-21)14-4-6-19-7-5-14/h2-7,12,18H,8-11H2,1H3/p+1