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

Systemtic Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-4-ylmethyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(4-pyridylmethyl)amino]-3-oxo-propyl]ammonium CAS Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-4-ylmethyl)amino]-3-oxopropyl]ammonium IUPAC Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-4-ylmethyl)amino]-3-oxopropyl]azanium Traditional Name: [3-[2,3-dihydro-1,4-benzodioxin-6-yl(4-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=CC=NC=C3)C(=O)CC[NH3+]

Isomeric SMILES

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

InChI

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