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

Systemtic Name: 2-[4-[2-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C31H39N4O2+ MolecularWeight: 499.66696

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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)CN4CC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CN4CC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C31H38N4O2/c1-24-21-28(25(2)35(24)31(26-11-5-3-6-12-26)27-13-7-4-8-14-27)29(36)22-32-17-19-33(20-18-32)23-30(37)34-15-9-10-16-34/h3-8,11-14,21,31H,9-10,15-20,22-23H2,1-2H3/p+1