1-(2-azanylethanoyl)-1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-(2-azanylethanoyl)-1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-(2-aminoacetyl)-1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide CAS Name: 1-(2-amino-1-oxoethyl)-1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-(2-aminoacetyl)-1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-1-glycyl-pyrrolidin-1-ium-2-carboxamide Formula: C17H20N3O5+ MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)CN)C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)CN)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C17H19N3O5/c18-9-16(22)20(7-1-2-12(20)17(19)23)15(21)6-4-11-3-5-13-14(8-11)25-10-24-13/h3-6,8,12H,1-2,7,9-10,18H2,(H-,19,23)/p+1/b6-4+