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

Systemtic Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-oxido-pyridin-1-ium-4-carboxamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)OC)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)OC)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H29N3O3/c1-23(22(26)20-10-14-25(27)15-11-20)16-19-4-3-12-24(17-19)13-9-18-5-7-21(28-2)8-6-18/h5-8,10-11,14-15,19H,3-4,9,12-13,16-17H2,1-2H3/p+1/t19-/m1/s1