N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-4-ium-1-yl)propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-ethylpiperazin-4-ium-1-yl)propionamide Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)CCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C19H28N4OS/c1-2-22-10-12-23(13-11-22)9-8-18(24)21-19-16(14-20)15-6-4-3-5-7-17(15)25-19/h2-13H2,1H3,(H,21,24)/p+1