[2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzothiazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H26N5OS+ MolecularWeight: 456.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C3=NC4=C(C=CC=C4S3)C(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C3=NC4=C(C=CC=C4S3)C(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C26H25N5OS/c32-25(30-17-15-29(16-18-30)23-12-3-4-13-27-23)20-9-5-11-22-24(20)28-26(33-22)31-14-6-8-19-7-1-2-10-21(19)31/h1-5,7,9-13H,6,8,14-18H2/p+1