4-[2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C25H27N3O2/c1-18-15-22(23(29)16-27-14-13-26-24(30)17-27)19(2)28(18)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,25H,13-14,16-17H2,1-2H3,(H,26,30)/p+1