2-[4-(2-methyl-6-phenyl-pyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-methyl-6-phenyl-pyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2-methyl-6-phenyl-pyridine-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(2-methyl-6-phenyl-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(2-methyl-6-phenyl-nicotinoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O2/c1-18-20(9-10-21(24-18)19-7-3-2-4-8-19)23(29)27-15-13-25(14-16-27)17-22(28)26-11-5-6-12-26/h2-4,7-10H,5-6,11-17H2,1H3/p+1