N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O4/c1-15-11-20(16(2)27(15)19-4-5-19)21(28)13-26-9-7-17(8-10-26)24(29)25-18-3-6-22-23(12-18)31-14-30-22/h3,6,11-12,17,19H,4-5,7-10,13-14H2,1-2H3,(H,25,29)/p+1