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

Systemtic Name: 6-methyl-2-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-benzothiazole Openeye Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole CAS Name: 6-methyl-2-[2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]-1,3-benzothiazole IUPAC Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Traditional Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Formula: C24H27N4S+ MolecularWeight: 403.56298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4S/c1-19-9-10-22-23(16-19)29-24(25-22)28-11-5-8-21(28)18-27-14-12-26(13-15-27)17-20-6-3-2-4-7-20/h2-11,16H,12-15,17-18H2,1H3/p+1