[1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CN2CCCC(C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

CC(C)N1C=C(C=N1)CN2CCC[C@@H](C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C18H32N4O/c1-15(2)22-12-17(10-19-22)11-20-7-3-4-18(13-20)21-8-5-16(14-23)6-9-21/h10,12,15-16,18,23H,3-9,11,13-14H2,1-2H3/p+1/t18-/m0/s1