N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[2-(2-pyridyl)ethyl]pyrrole-2-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-[2-(2-pyridinyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[2-(2-pyridyl)ethyl]pyrrole-2-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CN2CCC3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CN2CCC3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c29-24(23-10-6-15-28(23)18-13-21-9-4-5-14-25-21)26-22-11-16-27(17-12-22)19-20-7-2-1-3-8-20/h1-10,14-15,22H,11-13,16-19H2,(H,26,29)/p+1