2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl-diethyl-ammonium Formula: C18H29N4+ MolecularWeight: 301.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)NCC[NH+](CC)CC)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)NCC[NH+](CC)CC)C#N

InChI

InChI=1S/C18H28N4/c1-4-17-15-10-8-7-9-14(15)16(13-19)18(21-17)20-11-12-22(5-2)6-3/h4-12H2,1-3H3,(H,20,21)/p+1