1-[2,4-dimethyl-1-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]pyrrol-3-yl]ethanone

Systemtic Name: 1-[2,4-dimethyl-1-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]pyrrol-3-yl]ethanone Openeye Name: 1-[1-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-2,4-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-[(2R)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-2,4-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 1-[1-[(2R)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-2,4-dimethylpyrrol-3-yl]ethanone Traditional Name: 1-[1-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-2,4-dimethyl-pyrrol-3-yl]ethanone Formula: C15H26N3O2+ MolecularWeight: 280.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C(=O)C)C)CC(CN2CC[NH2+]CC2)O

Isomeric SMILES

CC1=CN(C(=C1C(=O)C)C)C[C@@H](CN2CC[NH2+]CC2)O

InChI

InChI=1S/C15H25N3O2/c1-11-8-18(12(2)15(11)13(3)19)10-14(20)9-17-6-4-16-5-7-17/h8,14,16,20H,4-7,9-10H2,1-3H3/p+1/t14-/m1/s1