4-[[(2S)-2-[5-(1,4-oxazepan-4-ylcarbonyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-pyridin-2-one

Systemtic Name: 4-[[(2S)-2-[5-(1,4-oxazepan-4-ylcarbonyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-pyridin-2-one Openeye Name: 4-[[(2S)-2-[5-(1,4-oxazepane-4-carbonyl)-2-thienyl]pyrrolidin-1-ium-1-yl]methyl]-1H-pyridin-2-one CAS Name: 4-[[(2S)-2-[5-[1,4-oxazepan-4-yl(oxo)methyl]-2-thiophenyl]-1-pyrrolidin-1-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 4-[[(2S)-2-[5-(1,4-oxazepane-4-carbonyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-pyridin-2-one Traditional Name: 4-[[(2S)-2-[5-(1,4-oxazepane-4-carbonyl)-2-thienyl]pyrrolidin-1-ium-1-yl]methyl]-2-pyridone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=O)NC=C2)C3=CC=C(S3)C(=O)N4CCCOCC4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC(=O)NC=C2)C3=CC=C(S3)C(=O)N4CCCOCC4

InChI

InChI=1S/C20H25N3O3S/c24-19-13-15(6-7-21-19)14-23-8-1-3-16(23)17-4-5-18(27-17)20(25)22-9-2-11-26-12-10-22/h4-7,13,16H,1-3,8-12,14H2,(H,21,24)/p+1/t16-/m0/s1