6-methyl-2-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole

Systemtic Name: 6-methyl-2-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole Openeye Name: 6-methyl-2-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole CAS Name: 6-methyl-2-[2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-pyrrolyl]-1,3-benzothiazole IUPAC Name: 6-methyl-2-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole Traditional Name: 6-methyl-2-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole Formula: C19H24N3S+ MolecularWeight: 326.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=CN2C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=CN2C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C19H23N3S/c1-14-7-10-21(11-8-14)13-16-4-3-9-22(16)19-20-17-6-5-15(2)12-18(17)23-19/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3/p+1