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

Systemtic Name: [4-[[6-[bis(2-methylpropyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-(diisobutylamino)-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[bis(2-methylpropyl)amino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[bis(2-methylpropyl)amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-(diisobutylamino)-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C17H31N4O+ MolecularWeight: 307.45424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4O/c1-13(2)11-21(12-14(3)4)16-8-7-15(10-19-16)20-17(22)6-5-9-18/h7-8,10,13-14H,5-6,9,11-12,18H2,1-4H3,(H,20,22)/p+1