[4-[[6-(2-acetamidoethylamino)pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-(2-acetamidoethylamino)pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-(2-acetamidoethylamino)-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-(2-acetamidoethylamino)-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-(2-acetamidoethylamino)pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-(2-acetamidoethylamino)-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C13H22N5O2+ MolecularWeight: 280.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC=C(C=C1)NC(=O)CCC[NH3+]

Isomeric SMILES

CC(=O)NCCNC1=NC=C(C=C1)NC(=O)CCC[NH3+]

InChI

InChI=1S/C13H21N5O2/c1-10(19)15-7-8-16-12-5-4-11(9-17-12)18-13(20)3-2-6-14/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,19)(H,16,17)(H,18,20)/p+1