3-[5-[[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol

Systemtic Name: 3-[5-[[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol Openeye Name: 3-[5-[[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]methyl]-3-thienyl]prop-2-yn-1-ol CAS Name: 3-[5-[[methyl-[(3S)-1-phenethyl-3-piperidin-1-iumyl]amino]methyl]-3-thiophenyl]-2-propyn-1-ol IUPAC Name: 3-[5-[[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol Traditional Name: 3-[5-[[methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amino]methyl]-3-thienyl]prop-2-yn-1-ol Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CS1)C#CCO)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC(=CS1)C#CCO)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-23(17-22-15-20(18-26-22)9-6-14-25)21-10-5-12-24(16-21)13-11-19-7-3-2-4-8-19/h2-4,7-8,15,18,21,25H,5,10-14,16-17H2,1H3/p+1/t21-/m0/s1