4-prop-2-enoxy-3,5-dipropyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide chloride

Systemtic Name: 4-prop-2-enoxy-3,5-dipropyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide chloride Openeye Name: 4-allyloxy-3,5-dipropyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide chloride CAS Name: 4-prop-2-enoxy-3,5-dipropyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide chloride IUPAC Name: 4-prop-2-enoxy-3,5-dipropyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide chloride Traditional Name: 4-allyloxy-3,5-dipropyl-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide chloride Formula: C22H35ClN2O2 MolecularWeight: 394.9785

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)NCC[NH+]2CCCC2.[Cl-]

Isomeric SMILES

CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)NCC[NH+]2CCCC2.[Cl-]

InChI

InChI=1S/C22H34N2O2.ClH/c1-4-9-18-16-20(17-19(10-5-2)21(18)26-15-6-3)22(25)23-11-14-24-12-7-8-13-24;/h6,16-17H,3-5,7-15H2,1-2H3,(H,23,25);1H