(2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-4-yl-ethanone

Systemtic Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-4-yl-ethanone Openeye Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-(4-pyridyl)ethanone CAS Name: (2S)-2-(4-methyl-1-piperidin-1-iumyl)-1-(1-piperazinyl)-2-pyridin-4-ylethanone IUPAC Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-4-ylethanone Traditional Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazino-2-(4-pyridyl)ethanone Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=NC=C2)C(=O)N3CCNCC3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC=NC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H26N4O/c1-14-4-10-20(11-5-14)16(15-2-6-18-7-3-15)17(22)21-12-8-19-9-13-21/h2-3,6-7,14,16,19H,4-5,8-13H2,1H3/p+1/t16-/m0/s1