(6-chloranylquinolin-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: (6-chloranylquinolin-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(pyridin-2-ylmethyl)azanium Openeye Name: (6-chloro-4-quinolyl)methyl-[3-(dimethylammonio)propyl]-(2-pyridylmethyl)ammonium CAS Name: (6-chloro-4-quinolinyl)methyl-[3-(dimethylammonio)propyl]-(2-pyridinylmethyl)ammonium IUPAC Name: (6-chloroquinolin-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(pyridin-2-ylmethyl)azanium Traditional Name: (6-chloro-4-quinolyl)methyl-[3-(dimethylammonio)propyl]-(2-pyridylmethyl)ammonium Formula: C21H27ClN4+2 MolecularWeight: 370.91888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CC1=C2C=C(C=CC2=NC=C1)Cl)CC3=CC=CC=N3

Isomeric SMILES

C[NH+](C)CCC[NH+](CC1=C2C=C(C=CC2=NC=C1)Cl)CC3=CC=CC=N3

InChI

InChI=1S/C21H25ClN4/c1-25(2)12-5-13-26(16-19-6-3-4-10-23-19)15-17-9-11-24-21-8-7-18(22)14-20(17)21/h3-4,6-11,14H,5,12-13,15-16H2,1-2H3/p+2