3-[(4-cyano-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-cyano-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)amino]propyl-dimethyl-ammonium Formula: C18H30N4+2 MolecularWeight: 302.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCCC[NH+](C)C)C#N

Isomeric SMILES

CCCC1=C2CCCCC2=C(C(=[NH+]1)NCCC[NH+](C)C)C#N

InChI

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