2-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-methyl-3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)N4C=CC=C4

InChI

InChI=1S/C22H28N4O2/c1-18-6-7-19(16-20(18)24-8-2-3-9-24)22(28)26-14-12-23(13-15-26)17-21(27)25-10-4-5-11-25/h2-3,6-9,16H,4-5,10-15,17H2,1H3/p+1