N-[2-[(3,7,8-trimethylquinolin-1-ium-2-yl)amino]ethyl]pentanamide

Systemtic Name: N-[2-[(3,7,8-trimethylquinolin-1-ium-2-yl)amino]ethyl]pentanamide Openeye Name: N-[2-[(3,7,8-trimethylquinolin-1-ium-2-yl)amino]ethyl]pentanamide CAS Name: N-[2-[(3,7,8-trimethyl-2-quinolin-1-iumyl)amino]ethyl]pentanamide IUPAC Name: N-[2-[(3,7,8-trimethylquinolin-1-ium-2-yl)amino]ethyl]pentanamide Traditional Name: N-[2-[(3,7,8-trimethylquinolin-1-ium-2-yl)amino]ethyl]valeramide Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCNC1=C(C=C2C=CC(=C(C2=[NH+]1)C)C)C

Isomeric SMILES

CCCCC(=O)NCCNC1=C(C=C2C=CC(=C(C2=[NH+]1)C)C)C

InChI

InChI=1S/C19H27N3O/c1-5-6-7-17(23)20-10-11-21-19-14(3)12-16-9-8-13(2)15(4)18(16)22-19/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,23)(H,21,22)/p+1