N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methyl-1-piperidin-1-iumyl)propanamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propanamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-methylpiperidin-1-ium-1-yl)propionamide Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCC(CC3)C

InChI

InChI=1S/C19H27N3OS/c1-13-5-8-22(9-6-13)10-7-18(23)21-19-16(12-20)15-4-3-14(2)11-17(15)24-19/h13-14H,3-11H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1