N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H29N3O3/c1-23(22(26)20-9-6-13-25(27)17-20)15-18-7-5-12-24(16-18)14-11-19-8-3-4-10-21(19)28-2/h3-4,6,8-10,13,17-18H,5,7,11-12,14-16H2,1-2H3/p+1/t18-/m1/s1