1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzofurazan-5-ylmethyl)-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C26H26N4O3/c1-32-23-7-3-5-21(16-23)20-4-2-6-22(15-20)27-26(31)19-10-12-30(13-11-19)17-18-8-9-24-25(14-18)29-33-28-24/h2-9,14-16,19H,10-13,17H2,1H3,(H,27,31)/p+1