4-bromanyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-bromanyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1H-pyrrole-2-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide CAS Name: 4-bromo-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide Formula: C17H20BrN4O+ MolecularWeight: 376.2709

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)C2=CC(=CN2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)C2=CC(=CN2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN4O/c18-14-10-16(19-11-14)17(23)21-20-15-6-8-22(9-7-15)12-13-4-2-1-3-5-13/h1-5,10-11,19H,6-9,12H2,(H,21,23)/p+1