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

Systemtic Name: 2-[2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole Openeye Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]thiazole CAS Name: 2-[2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]thiazole IUPAC Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-1,3-thiazole Traditional Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]thiazole Formula: C25H27N4S+ MolecularWeight: 415.57368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=NC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=NC=CS3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4S/c1-3-8-21(9-4-1)24(22-10-5-2-6-11-22)28-17-15-27(16-18-28)20-23-12-7-14-29(23)25-26-13-19-30-25/h1-14,19,24H,15-18,20H2/p+1