[3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylmethyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylmethyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-pyridylmethyl)amino]-3-oxo-propyl]ammonium CAS Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-pyridinylmethyl)amino]-3-oxopropyl]ammonium IUPAC Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylmethyl)amino]-3-oxopropyl]azanium Traditional Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-pyridylmethyl)amino]-3-keto-propyl]ammonium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC3=CN=CC=C3)C(=O)CC[NH3+]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CC3=CN=CC=C3)C(=O)CC[NH3+]

InChI

InChI=1S/C17H19N3O3/c18-6-5-17(21)20(12-13-2-1-7-19-11-13)14-3-4-15-16(10-14)23-9-8-22-15/h1-4,7,10-11H,5-6,8-9,12,18H2/p+1