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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O/c1-16-14-20(17(2)24(16)19-8-9-19)21(25)15-22-10-12-23(13-11-22)18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3/p+1