2-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Formula: C21H22N4S+2 MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=[NH+]C5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=[NH+]C5=CC=CC=C5C=C4

InChI

InChI=1S/C21H20N4S/c1-2-6-17-16(5-1)9-10-20(22-17)25-13-11-24(12-14-25)15-21-23-18-7-3-4-8-19(18)26-21/h1-10H,11-15H2/p+2