(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3OS/c22-21-17-3-1-2-4-18(17)27-19(21)5-6-20(26)25-13-11-24(12-14-25)15-16-7-9-23-10-8-16/h1-10H,11-15H2/p+1/b6-5+