1-[3-[4-(1,4-oxazepan-4-ium-4-yl)piperidin-1-yl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-(1,4-oxazepan-4-ium-4-yl)piperidin-1-yl]phenyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-(1,4-oxazepan-4-ium-4-yl)-1-piperidyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[4-(1,4-oxazepan-4-ium-4-yl)-1-piperidinyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-(1,4-oxazepan-4-ium-4-yl)piperidin-1-yl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(1,4-oxazepan-4-ium-4-yl)piperidino]phenyl]-2-pyrrolidone Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCOCC4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCOCC4

InChI

InChI=1S/C20H29N3O2/c24-20-6-2-10-23(20)19-5-1-4-18(16-19)22-11-7-17(8-12-22)21-9-3-14-25-15-13-21/h1,4-5,16-17H,2-3,6-15H2/p+1