2-[[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C21H21ClN4S+2 MolecularWeight: 396.93624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=C5C=CC(=CC5=[NH+]C=C4)Cl

InChI

InChI=1S/C21H19ClN4S/c22-15-5-6-16-18(13-15)23-8-7-19(16)26-11-9-25(10-12-26)14-21-24-17-3-1-2-4-20(17)27-21/h1-8,13H,9-12,14H2/p+2