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

Systemtic Name: 6-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole Openeye Name: 6-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole CAS Name: 6-methyl-2-[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-pyrrolyl]-1,3-benzothiazole IUPAC Name: 6-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole Traditional Name: 6-methyl-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-benzothiazole Formula: C23H25N4S+ MolecularWeight: 389.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4S/c1-18-9-10-21-22(16-18)28-23(24-21)27-11-5-8-20(27)17-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-11,16H,12-15,17H2,1H3/p+1