1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]-3-(3-thienyl)propan-1-one Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CCC4=CSC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CCC4=CSC=C4

InChI

InChI=1S/C20H20ClN3OS/c21-16-2-3-17-18(13-16)22-7-5-19(17)23-8-10-24(11-9-23)20(25)4-1-15-6-12-26-14-15/h2-3,5-7,12-14H,1,4,8-11H2/p+1