2-methyl-4-[5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-2-thienyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[5-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]-2-thiophenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[5-[[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]methyl]-2-thienyl]but-3-yn-2-ol Formula: C25H34N3OS+ MolecularWeight: 424.62196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H33N3OS/c1-25(2,29)13-12-23-10-11-24(30-23)20-26-14-6-9-22(19-26)28-17-15-27(16-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-11,22,29H,6,9,14-20H2,1-2H3/p+1/t22-/m0/s1