2-hydroxyethyl-methyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[(1S)-2-oxidanylidene-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Openeye Name: 2-hydroxyethyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[(1S)-2-oxo-2-(1-piperazinyl)-1-(1H-pyrrol-2-yl)ethyl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)ethyl]azanium Traditional Name: 2-hydroxyethyl-[(1S)-2-keto-2-piperazino-1-(1H-pyrrol-2-yl)ethyl]-methyl-ammonium Formula: C13H23N4O2+ MolecularWeight: 267.34732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)C(C1=CC=CN1)C(=O)N2CCNCC2

Isomeric SMILES

C[NH+](CCO)[C@@H](C1=CC=CN1)C(=O)N2CCNCC2

InChI

InChI=1S/C13H22N4O2/c1-16(9-10-18)12(11-3-2-4-15-11)13(19)17-7-5-14-6-8-17/h2-4,12,14-15,18H,5-10H2,1H3/p+1/t12-/m0/s1