1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H29N5O/c1-18-16-22(20(3)29(18)19(2)21-8-5-4-6-9-21)23(30)17-27-12-14-28(15-13-27)24-25-10-7-11-26-24/h4-11,16,19H,12-15,17H2,1-3H3/p+1/t19-/m1/s1