1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O/c1-14-12-17(15(2)19-14)18(22)13-20-8-10-21(11-9-20)16-6-4-3-5-7-16/h3-7,12,19H,8-11,13H2,1-2H3/p+1