[3-[methyl(phenethyl)amino]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [3-[methyl(phenethyl)amino]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [3-[methyl(phenethyl)amino]-1-piperidyl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [3-[methyl(phenethyl)amino]-1-piperidinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [3-[methyl(phenethyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [3-[methyl(phenethyl)amino]piperidino]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C20H25N3O2/c1-21(14-11-17-7-3-2-4-8-17)19-10-6-12-22(16-19)20(24)18-9-5-13-23(25)15-18/h2-5,7-9,13,15,19H,6,10-12,14,16H2,1H3