(1-azanyl-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone

Systemtic Name: (1-azanyl-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone Openeye Name: (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone CAS Name: (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenylmethanone IUPAC Name: (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenylmethanone Traditional Name: (1-amino-5-ethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone Formula: C20H21N2OS+ MolecularWeight: 337.45854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C3C(=C(SC3=[NH+]1)C(=O)C4=CC=CC=C4)N

Isomeric SMILES

CCC1=C2CCCCC2=C3C(=C(SC3=[NH+]1)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C20H20N2OS/c1-2-15-13-10-6-7-11-14(13)16-17(21)19(24-20(16)22-15)18(23)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11,21H2,1H3/p+1