(1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]propan-1-ol

Systemtic Name: (1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]propan-1-ol Openeye Name: (1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]propan-1-ol CAS Name: (1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-1-propanol IUPAC Name: (1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]propan-1-ol Traditional Name: (1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]propan-1-ol Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C)O

Isomeric SMILES

CC(C)[C@@H](C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C)O

InChI

InChI=1S/C26H33N3O2/c1-19(2)26(30)21-13-15-29(16-14-21)18-22-17-28(3)27-25(22)20-9-11-24(12-10-20)31-23-7-5-4-6-8-23/h4-12,17,19,21,26,30H,13-16,18H2,1-3H3/p+1/t26-/m0/s1