(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone

Systemtic Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone Openeye Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(3-pyridyl)ethanone CAS Name: (2R)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-(3-pyridinyl)ethanone IUPAC Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-3-ylethanone Traditional Name: (2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-piperazino-2-(3-pyridyl)ethanone Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CN=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=CN=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H26N4O/c1-14-4-3-9-21(13-14)16(15-5-2-6-19-12-15)17(22)20-10-7-18-8-11-20/h2,5-6,12,14,16,18H,3-4,7-11,13H2,1H3/p+1/t14-,16+/m0/s1