2-[4-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(E)-3-(3-chloro-1-benzothiophen-2-yl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(E)-3-(3-chlorobenzothiophen-2-yl)acryloyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-20-15-3-1-2-4-16(15)27-17(20)7-8-19(26)24-11-9-23(10-12-24)13-18(25)22-14-5-6-14/h1-4,7-8,14H,5-6,9-13H2,(H,22,25)/p+1/b8-7+