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

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1H-pyrrole-2-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-1H-pyrrole-2-carboxamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-1H-pyrrole-2-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-1H-pyrrole-2-carboxamide Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O/c22-17(16-7-4-10-18-16)20-19-15-8-11-21(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,18H,8-9,11-13H2,(H,20,22)/p+1