N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C26H35N3O2/c1-21-7-2-3-8-23(21)14-18-27-16-12-22(13-17-27)19-29(25-10-4-5-11-25)26(30)24-9-6-15-28(31)20-24/h2-3,6-9,15,20,22,25H,4-5,10-14,16-19H2,1H3/p+1