(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-15-5-6-17-18(14-15)27-20(19(17)22)21(26)25-12-10-24(11-13-25)9-7-16-4-2-3-8-23-16/h2-6,8,14H,7,9-13H2,1H3/p+1