[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-(6-methylpyridin-3-yl)methanone

Systemtic Name: [(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-(6-methylpyridin-3-yl)methanone Openeye Name: [(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]-(6-methyl-3-pyridyl)methanone CAS Name: [(3S)-3-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]-(6-methyl-3-pyridinyl)methanone IUPAC Name: [(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-(6-methylpyridin-3-yl)methanone Traditional Name: [(3S)-3-(4-methylolpiperidin-1-ium-1-yl)piperidino]-(6-methyl-3-pyridyl)methanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCCC(C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C18H27N3O2/c1-14-4-5-16(11-19-14)18(23)21-8-2-3-17(12-21)20-9-6-15(13-22)7-10-20/h4-5,11,15,17,22H,2-3,6-10,12-13H2,1H3/p+1/t17-/m0/s1