6-methyl-2-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-benzothiazole

Systemtic Name: 6-methyl-2-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-benzothiazole Openeye Name: 6-methyl-2-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-benzothiazole CAS Name: 6-methyl-2-[2-(1-piperidin-1-iumylmethyl)-1-pyrrolyl]-1,3-benzothiazole IUPAC Name: 6-methyl-2-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-benzothiazole Traditional Name: 6-methyl-2-[2-(piperidin-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-benzothiazole Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C18H21N3S/c1-14-7-8-16-17(12-14)22-18(19-16)21-11-5-6-15(21)13-20-9-3-2-4-10-20/h5-8,11-12H,2-4,9-10,13H2,1H3/p+1