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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H25N3OS/c1-13-5-4-9-21(12-13)10-8-17(22)20-18-15(11-19)14-6-2-3-7-16(14)23-18/h13H,2-10,12H2,1H3,(H,20,22)/p+1/t13-/m0/s1