2-methyl-4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[4-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]phenyl]but-3-yn-2-ol Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCCC(C2)N3CCCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCCC3)O

InChI

InChI=1S/C21H30N2O/c1-21(2,24)12-11-18-7-9-19(10-8-18)16-22-13-5-6-20(17-22)23-14-3-4-15-23/h7-10,20,24H,3-6,13-17H2,1-2H3/p+1/t20-/m0/s1