1-[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 1-[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-1,4-diazepan-5-one Openeye Name: 1-[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-5-one CAS Name: 1-[[3-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 1-[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-5-one Traditional Name: 1-[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-5-one Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCC(=O)NCC4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCC(=O)NCC4

InChI

InChI=1S/C22H31N3O3/c26-21-10-14-25(15-11-23-21)22(27)17-4-3-7-20(16-17)28-19-8-12-24(13-9-19)18-5-1-2-6-18/h3-4,7,16,18-19H,1-2,5-6,8-15H2,(H,23,26)/p+1