3-cyano-1-(2-ethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-2-carboxamide

Systemtic Name: 3-cyano-1-(2-ethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-2-carboxamide Openeye Name: 3-cyano-1-(2-ethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-2-carboxamide CAS Name: 3-cyano-1-(2-ethoxyphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 3-cyano-1-(2-ethoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-2-carboxamide Traditional Name: 3-cyano-1-o-phenetyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-2-carboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C=CC(=C2C(=O)NCC[NH+]3CCCCC3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2C=CC(=C2C(=O)NCC[NH+]3CCCCC3)C#N

InChI

InChI=1S/C21H26N4O2/c1-2-27-19-9-5-4-8-18(19)25-14-10-17(16-22)20(25)21(26)23-11-15-24-12-6-3-7-13-24/h4-5,8-10,14H,2-3,6-7,11-13,15H2,1H3,(H,23,26)/p+1