3-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium

Systemtic Name: 3-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium Openeye Name: 2-(4-benzyl-1-piperidyl)-3-nitro-pyridin-1-ium CAS Name: 3-nitro-2-[4-(phenylmethyl)-1-piperidinyl]pyridin-1-ium IUPAC Name: 2-(4-benzylpiperidin-1-yl)-3-nitropyridin-1-ium Traditional Name: 2-(4-benzylpiperidino)-3-nitro-pyridin-1-ium Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O2/c21-20(22)16-7-4-10-18-17(16)19-11-8-15(9-12-19)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2/p+1