[4-[[6-[methyl-(phenylmethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-[methyl-(phenylmethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[benzyl(methyl)amino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[methyl-(phenylmethyl)amino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[benzyl(methyl)amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[benzyl(methyl)amino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H22N4O/c1-21(13-14-6-3-2-4-7-14)16-10-9-15(12-19-16)20-17(22)8-5-11-18/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3,(H,20,22)/p+1