N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyrrolidin-1-ium-1-yl-propanamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-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)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

C1CC[NH+](C1)CCC(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H22N2O3/c19-16(7-10-18-8-3-4-9-18)17-11-13-12-20-14-5-1-2-6-15(14)21-13/h1-2,5-6,13H,3-4,7-12H2,(H,17,19)/p+1/t13-/m0/s1