1-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H31N3O4/c30-25(18-28-13-10-19(11-14-28)26(31)27-21-5-2-1-3-6-21)29-12-4-7-22(29)20-8-9-23-24(17-20)33-16-15-32-23/h1-3,5-6,8-9,17,19,22H,4,7,10-16,18H2,(H,27,31)/p+1/t22-/m0/s1