2-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylazanium

Systemtic Name: 2-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylazanium Openeye Name: 2-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylammonium CAS Name: 2-[6-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,3-benzothiazol-2-yl]ethylammonium IUPAC Name: 2-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylazanium Traditional Name: 2-[6-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-benzothiazol-2-yl]ethylammonium Formula: C16H25N3S+2 MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC3=C(C=C2)N=C(S3)CC[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC3=C(C=C2)N=C(S3)CC[NH3+]

InChI

InChI=1S/C16H23N3S/c1-12-5-8-19(9-6-12)11-13-2-3-14-15(10-13)20-16(18-14)4-7-17/h2-3,10,12H,4-9,11,17H2,1H3/p+2