1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H29N3O4/c28-23(26-20-6-7-21-22(16-20)31-15-14-30-21)10-13-27-11-8-19(9-12-27)24(29)25-17-18-4-2-1-3-5-18/h1-7,16,19H,8-15,17H2,(H,25,29)(H,26,28)/p+1