1-(furan-2-yl)-3-(3-morpholin-4-ium-4-ylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-(3-morpholin-4-ium-4-ylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[3-(4-morpholin-4-iumyl)propylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-(3-morpholin-4-ium-4-ylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-(3-morpholin-4-ium-4-ylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H28N4O2+2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCCC[NH+]3CCOCC3)C4=CC=CO4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCCC[NH+]3CCOCC3)C4=CC=CO4

InChI

InChI=1S/C21H26N4O2/c22-15-18-16-5-1-2-6-17(16)20(19-7-3-12-27-19)24-21(18)23-8-4-9-25-10-13-26-14-11-25/h3,7,12H,1-2,4-6,8-11,13-14H2,(H,23,24)/p+2