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

Systemtic Name: [4-[[6-[(2-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[(2-chlorophenyl)methylamino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[(2-chlorophenyl)methylamino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[(2-chlorobenzyl)amino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O/c17-14-5-2-1-4-12(14)10-19-15-8-7-13(11-20-15)21-16(22)6-3-9-18/h1-2,4-5,7-8,11H,3,6,9-10,18H2,(H,19,20)(H,21,22)/p+1