4,5-bis(chloranyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4,5-bis(chloranyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide CAS Name: 4,5-dichloro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide Formula: C17H20Cl2N3O+ MolecularWeight: 353.2662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=C(N2)Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=C(N2)Cl)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C17H19Cl2N3O/c18-14-10-15(21-16(14)19)17(23)20-13-6-8-22(9-7-13)11-12-4-2-1-3-5-12/h1-5,10,13,21H,6-9,11H2,(H,20,23)/p+1