N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclohexanecarboxamide Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC[NH+]2CCCC2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H30N2O3/c24-21(17-7-2-1-3-8-17)23(14-13-22-11-4-5-12-22)15-18-9-6-10-19-20(18)26-16-25-19/h6,9-10,17H,1-5,7-8,11-16H2/p+1