1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]pyrrolidin-2-one Openeye Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]pyrrolidin-2-one CAS Name: 1-[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]ethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]pyrrolidin-2-one Traditional Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]-2-pyrrolidone Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CCN3CCCC3=O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CCN3CCCC3=O

InChI

InChI=1S/C19H28N2O2/c1-23-17-10-8-16(9-11-17)18-6-3-2-4-12-20(18)14-15-21-13-5-7-19(21)22/h8-11,18H,2-7,12-15H2,1H3/p+1/t18-/m1/s1