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

Systemtic Name: [4-oxidanylidene-4-[[6-[(phenylmethyl)amino]pyridin-3-yl]amino]butyl]azanium Openeye Name: [4-[[6-(benzylamino)-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-oxo-4-[[6-[(phenylmethyl)amino]-3-pyridinyl]amino]butyl]ammonium IUPAC Name: [4-[[6-(benzylamino)pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-(benzylamino)-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C16H20N4O/c17-10-4-7-16(21)20-14-8-9-15(19-12-14)18-11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11,17H2,(H,18,19)(H,20,21)/p+1