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

Systemtic Name: [4-[[6-[(2-methoxyphenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[(2-methoxyphenyl)methylamino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[(2-methoxyphenyl)methylamino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[[6-(o-anisylamino)-3-pyridyl]amino]butyl]ammonium Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H22N4O2/c1-23-15-6-3-2-5-13(15)11-19-16-9-8-14(12-20-16)21-17(22)7-4-10-18/h2-3,5-6,8-9,12H,4,7,10-11,18H2,1H3,(H,19,20)(H,21,22)/p+1