[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-[(2S)-2-oxidanyl-3-phenoxy-propyl]azanium

Systemtic Name: [(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-[(2S)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-phenoxy-propyl]-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-2-hydroxy-3-phenoxypropyl]-[(2S)-2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-phenoxypropyl]-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]azanium Traditional Name: [(2S)-2-hydroxy-3-phenoxy-propyl]-[(2S)-2-(4-methylpiperidino)-2-(2-thienyl)ethyl]ammonium Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(C[NH2+]CC(COC2=CC=CC=C2)O)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)[C@@H](C[NH2+]C[C@@H](COC2=CC=CC=C2)O)C3=CC=CS3

InChI

InChI=1S/C21H30N2O2S/c1-17-9-11-23(12-10-17)20(21-8-5-13-26-21)15-22-14-18(24)16-25-19-6-3-2-4-7-19/h2-8,13,17-18,20,22,24H,9-12,14-16H2,1H3/p+1/t18-,20-/m0/s1