[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]methyl-(1-ethylpiperidin-1-ium-4-yl)ammonium CAS Name: [5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl-(1-ethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]methyl-(1-ethylpiperidin-1-ium-4-yl)ammonium Formula: C19H25N3OS+2 MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H23N3OS/c1-2-22-11-9-14(10-12-22)20-13-15-7-8-17(23-15)19-21-16-5-3-4-6-18(16)24-19/h3-8,14,20H,2,9-13H2,1H3/p+2