[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone

Systemtic Name: [2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-yl-methanone Openeye Name: [2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: [2-[[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-piperidinyl)methanone IUPAC Name: [2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidin-1-ylmethanone Traditional Name: [2-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C24H28N4O3/c29-24(28-12-4-1-5-13-28)20-6-2-3-7-23(20)30-19-10-14-27(15-11-19)17-18-8-9-21-22(16-18)26-31-25-21/h2-3,6-9,16,19H,1,4-5,10-15,17H2/p+1