N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H32N4O3/c1-19(7-8-20-9-11-22(31)12-10-20)29-17-14-21(15-18-29)30-25(13-16-27-30)28-26(32)23-5-3-4-6-24(23)33-2/h3-6,9-13,16,19,21,31H,7-8,14-15,17-18H2,1-2H3,(H,28,32)/p+1/t19-/m1/s1