[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]-phenyl-methanone

Systemtic Name: [1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]-phenyl-methanone Openeye Name: [1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]-phenyl-methanone CAS Name: [1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]-phenylmethanone IUPAC Name: [1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]-phenylmethanone Traditional Name: [1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]-phenyl-methanone Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c21-17(13-4-2-1-3-5-13)14-8-10-19(11-9-14)16-7-6-15(12-18-16)20(22)23/h1-7,12,14H,8-11H2/p+1