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

Systemtic Name: 2-[2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Openeye Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole CAS Name: 2-[2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]-6-methyl-1,3-benzothiazole IUPAC Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Traditional Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-6-methyl-1,3-benzothiazole Formula: C30H31N4S+ MolecularWeight: 479.65894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH+]4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30N4S/c1-23-14-15-27-28(21-23)35-30(31-27)34-16-8-13-26(34)22-32-17-19-33(20-18-32)29(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-16,21,29H,17-20,22H2,1H3/p+1