2-(1-oxidanidylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate hydrochloride

Systemtic Name: 2-(1-oxidanidylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate hydrochloride Openeye Name: 2-(1-oxidopiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate hydrochloride CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-oxido-1-piperidin-1-iumyl)ethyl ester hydrochloride IUPAC Name: 2-(1-oxidopiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate hydrochloride Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-oxidopiperidin-1-ium-1-yl)ethyl ester hydrochloride Formula: C21H35ClN2O4 MolecularWeight: 414.9666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)[O-].Cl

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)[O-].Cl

InChI

InChI=1S/C21H34N2O4.ClH/c1-2-3-4-5-11-17-26-20-13-8-7-12-19(20)22-21(24)27-18-16-23(25)14-9-6-10-15-23;/h7-8,12-13H,2-6,9-11,14-18H2,1H3,(H,22,24);1H