(6S,8R,8aS)-6-azanyl-2-ethyl-8-thiophen-2-yl-2,6,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: (6S,8R,8aS)-6-azanyl-2-ethyl-8-thiophen-2-yl-2,6,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: (6S,8R,8aS)-6-amino-2-ethyl-8-(2-thienyl)-2,6,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: (6S,8R,8aS)-6-amino-2-ethyl-8-thiophen-2-yl-2,6,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: (6S,8R,8aS)-6-amino-2-ethyl-8-thiophen-2-yl-2,6,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: (6S,8R,8aS)-6-amino-2-ethyl-8-(2-thienyl)-2,6,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C18H18N5S+ MolecularWeight: 336.43402

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC2C(C(C(C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CS3

Isomeric SMILES

CC[NH+]1C[C@H]2[C@H](C([C@H](C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CS3

InChI

InChI=1S/C18H17N5S/c1-2-23-6-5-12-13(8-19)17(22)18(10-20,11-21)16(14(12)9-23)15-4-3-7-24-15/h3-7,14,16-17H,2,9,22H2,1H3/p+1/t14-,16+,17+/m1/s1