1-[5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C26H30N3O2+ MolecularWeight: 416.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c1-18-23(20(3)30)19(2)27-24(18)26(31)29-16-14-28(15-17-29)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,25,27H,14-17H2,1-3H3/p+1