1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonyl-1,4-diazepan-5-one Openeye Name: 1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]-1,4-diazepan-5-one CAS Name: 1-[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]-1,4-diazepan-5-one Traditional Name: 1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]-1,4-diazepan-5-one Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC(=O)NCC3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC(=O)NCC3)CC4=CC=CC=N4

InChI

InChI=1S/C23H28N4O3/c28-22-10-15-27(16-12-25-22)23(29)18-4-6-20(7-5-18)30-21-8-13-26(14-9-21)17-19-3-1-2-11-24-19/h1-7,11,21H,8-10,12-17H2,(H,25,28)/p+1