2-[(2S)-1-phenethyl-4-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-phenethyl-4-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-phenethyl-4-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-[[5-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-phenethyl-4-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C25H39N3OS+2 MolecularWeight: 429.66166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(S2)CN3CC[NH+](C(C3)CCO)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(S2)CN3CC[NH+]([C@H](C3)CCO)CCC4=CC=CC=C4

InChI

InChI=1S/C25H37N3OS/c29-18-12-23-19-27(16-17-28(23)15-11-22-7-3-1-4-8-22)21-25-10-9-24(30-25)20-26-13-5-2-6-14-26/h1,3-4,7-10,23,29H,2,5-6,11-21H2/p+2/t23-/m0/s1