(2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Systemtic Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Openeye Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone CAS Name: (2S)-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-(1-piperazinyl)-2-(1H-pyrrol-2-yl)ethanone IUPAC Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone Traditional Name: (2S)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-1-piperazino-2-(1H-pyrrol-2-yl)ethanone Formula: C16H28N5O2+ MolecularWeight: 322.42582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(C2=CC=CN2)[NH+]3CCN(CC3)CCO

Isomeric SMILES

C1CN(CCN1)C(=O)[C@H](C2=CC=CN2)[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C16H27N5O2/c22-13-12-19-8-10-20(11-9-19)15(14-2-1-3-18-14)16(23)21-6-4-17-5-7-21/h1-3,15,17-18,22H,4-13H2/p+1/t15-/m0/s1