4-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[1-(3-ethoxybenzyl)piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C27H31N3O3/c1-2-32-26-8-5-6-21(18-26)20-30-16-13-25(14-17-30)33-24-11-9-22(10-12-24)27(31)29-19-23-7-3-4-15-28-23/h3-12,15,18,25H,2,13-14,16-17,19-20H2,1H3,(H,29,31)/p+1