6-azanyl-8-(3-ethoxy-4-propoxy-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(3-ethoxy-4-propoxy-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(3-ethoxy-4-propoxy-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(3-ethoxy-4-propoxy-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OCC

InChI

InChI=1S/C24H27N5O2/c1-4-10-31-20-7-6-16(11-21(20)30-5-2)22-19-13-29(3)9-8-17(19)18(12-25)23(28)24(22,14-26)15-27/h6-8,11,19,22H,4-5,9-10,13,28H2,1-3H3/p+1