1-benzothiophen-3-yl-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: benzothiophen-3-yl-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: 1-benzothiophen-3-yl-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-3-yl-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: benzothiophen-3-yl-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]methanone Formula: C22H19ClN3OS+ MolecularWeight: 408.92376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C22H18ClN3OS/c23-15-5-6-17-19(13-15)24-8-7-20(17)25-9-11-26(12-10-25)22(27)18-14-28-21-4-2-1-3-16(18)21/h1-8,13-14H,9-12H2/p+1