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

Systemtic Name: 6-methyl-2-[2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-benzothiazole Openeye Name: 2-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole CAS Name: 6-methyl-2-[2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-pyrrolyl]-1,3-benzothiazole IUPAC Name: 2-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Traditional Name: 2-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Formula: C25H28N3S+ MolecularWeight: 402.57492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N3S/c1-19-9-10-23-24(16-19)29-25(26-23)28-13-5-8-22(28)18-27-14-11-21(12-15-27)17-20-6-3-2-4-7-20/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3/p+1