(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C20H19ClN3OS+ MolecularWeight: 384.90236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClN3OS/c21-20-16-3-1-2-4-17(16)26-18(20)5-6-19(25)24-13-11-23(12-14-24)15-7-9-22-10-8-15/h1-10H,11-14H2/p+1/b6-5+