4-[4-[[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[(3S)-3-(4-methoxyanilino)piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[(3S)-3-(4-methoxyanilino)-1-piperidin-1-iumyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[(3S)-3-(4-methoxyanilino)piperidin-1-ium-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[(3S)-3-(p-anisidino)piperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C24H30N2O2/c1-24(2,27)15-14-19-6-8-20(9-7-19)17-26-16-4-5-22(18-26)25-21-10-12-23(28-3)13-11-21/h6-13,22,25,27H,4-5,16-18H2,1-3H3/p+1/t22-/m0/s1