4-methyl-2-[(2-oxidanylidene-1-propyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide

Systemtic Name: 4-methyl-2-[(2-oxidanylidene-1-propyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide Openeye Name: 4-methyl-2-[(2-oxo-1-propyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide CAS Name: 4-methyl-2-[(2-oxo-1-propyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide IUPAC Name: 4-methyl-2-[(2-oxo-1-propyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]pentanamide Traditional Name: 2-[(2-keto-1-propyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methylamino]-4-methyl-valeramide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=C(CC[N+]1=O)C=C(C=C2)CNC(CC(C)C)C(=O)N

Isomeric SMILES

CCCC1C2=C(CC[N+]1=O)C=C(C=C2)CNC(CC(C)C)C(=O)N

InChI

InChI=1S/C19H29N3O2/c1-4-5-18-16-7-6-14(11-15(16)8-9-22(18)24)12-21-17(19(20)23)10-13(2)3/h6-7,11,13,17-18,21H,4-5,8-10,12H2,1-3H3,(H-,20,23)/p+1