1-azanyl-N,N-diethyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide

Systemtic Name: 1-azanyl-N,N-diethyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-N,N-diethyl-5-(1-piperidyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-N,N-diethyl-5-(1-piperidinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-N,N-diethyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-N,N-diethyl-5-piperidino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C2=C3CCCCC3=C([NH+]=C2S1)N4CCCCC4)N

Isomeric SMILES

CCN(CC)C(=O)C1=C(C2=C3CCCCC3=C([NH+]=C2S1)N4CCCCC4)N

InChI

InChI=1S/C21H30N4OS/c1-3-24(4-2)21(26)18-17(22)16-14-10-6-7-11-15(14)19(23-20(16)27-18)25-12-8-5-9-13-25/h3-13,22H2,1-2H3/p+1