(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C16H19ClN3OS+ MolecularWeight: 336.85956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H18ClN3OS/c1-19-8-10-20(11-9-19)18-15(21)7-6-14-16(17)12-4-2-3-5-13(12)22-14/h2-7H,8-11H2,1H3,(H,18,21)/p+1/b7-6+