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

Systemtic Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzofurazan-5-ylmethyl)-N-[2-(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=C2NC(=O)C3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

InChI

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