N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide Openeye Name: N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide CAS Name: N-[(Z)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide Traditional Name: N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CN1)C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=CN1)/C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O2/c1-15(22-23-20(25)18-7-6-10-21-18)16-8-9-19(26-2)17(13-16)14-24-11-4-3-5-12-24/h6-10,13,21H,3-5,11-12,14H2,1-2H3,(H,23,25)/p+1/b22-15-