3-[(3S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol

Systemtic Name: 3-[(3S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol Openeye Name: 3-[(3S)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol CAS Name: 3-[(3S)-1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(3S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol Traditional Name: 3-[(3S)-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCCC(C4)CCCO

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)C[NH+]4CCC[C@H](C4)CCCO

InChI

InChI=1S/C23H29N3O2/c1-28-22-9-8-18-12-20(7-6-19(18)13-22)23-21(14-24-25-23)16-26-10-2-4-17(15-26)5-3-11-27/h6-9,12-14,17,27H,2-5,10-11,15-16H2,1H3,(H,24,25)/p+1/t17-/m0/s1