N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-ethanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: 3-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(4-acetyl-1-piperazin-1-iumyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(4-acetylpiperazin-1-ium-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H24N4O2S/c1-13(23)22-10-8-21(9-11-22)7-6-17(24)20-18-15(12-19)14-4-2-3-5-16(14)25-18/h2-11H2,1H3,(H,20,24)/p+1