3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]propanamide Openeye Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]propanamide Traditional Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]propionamide Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)N)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)N)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H22N2O3/c17-16(19)6-8-18-7-1-3-13(18)12-4-5-14-15(11-12)21-10-2-9-20-14/h4-5,11,13H,1-3,6-10H2,(H2,17,19)/p+1/t13-/m0/s1