[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCC2)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H27N3O3/c1-24(15-17-6-2-3-7-19(17)25-10-4-5-11-25)16-22(26)23-18-8-9-20-21(14-18)28-13-12-27-20/h2-3,6-9,14H,4-5,10-13,15-16H2,1H3,(H,23,26)/p+1