[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-phenyl-methanone

Systemtic Name: [1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-phenyl-methanone Openeye Name: [1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]-phenyl-methanone CAS Name: [1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinyl]-phenylmethanone IUPAC Name: [1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]-phenylmethanone Traditional Name: [1-(3-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=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

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