2-pyrrolidin-1-ium-1-ylethyl N-(4-octoxyphenyl)carbamate

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl N-(4-octoxyphenyl)carbamate Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl N-(4-octoxyphenyl)carbamate CAS Name: N-(4-octoxyphenyl)carbamic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl N-(4-octoxyphenyl)carbamate Traditional Name: N-(4-octoxyphenyl)carbamic acid 2-pyrrolidin-1-ium-1-ylethyl ester Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC(=O)OCC[NH+]2CCCC2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC(=O)OCC[NH+]2CCCC2

InChI

InChI=1S/C21H34N2O3/c1-2-3-4-5-6-9-17-25-20-12-10-19(11-13-20)22-21(24)26-18-16-23-14-7-8-15-23/h10-13H,2-9,14-18H2,1H3,(H,22,24)/p+1