(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c22-21-16-5-1-2-6-17(16)28-18(21)7-8-19(26)25-13-11-23(12-14-25)15-20(27)24-9-3-4-10-24/h1-2,5-8H,3-4,9-15H2/p+1/b8-7+