2-heptoxy-N-(2-piperidin-1-ylethoxycarbonyl)benzeneamine oxide hydrochloride

Systemtic Name: 2-heptoxy-N-(2-piperidin-1-ylethoxycarbonyl)benzeneamine oxide hydrochloride Openeye Name: 2-heptoxy-N-[2-(1-piperidyl)ethoxycarbonyl]benzeneamine oxide hydrochloride CAS Name: 2-heptoxy-N-[oxo-[2-(1-piperidinyl)ethoxy]methyl]benzeneamine oxide hydrochloride IUPAC Name: 2-heptoxy-N-(2-piperidin-1-ylethoxycarbonyl)benzeneamine oxide hydrochloride Traditional Name: 2-heptoxy-N-(2-piperidinoethoxycarbonyl)benzeneamine oxide hydrochloride Formula: C21H35ClN2O4 MolecularWeight: 414.9666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1[NH+](C(=O)OCCN2CCCCC2)[O-].Cl

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1[NH+](C(=O)OCCN2CCCCC2)[O-].Cl

InChI

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