methyl-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]azanium Openeye Name: [(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]-methylammonium IUPAC Name: [(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propyl]-methyl-ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(C[NH+]1CCC(CC1)CC2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](C[NH+]1CCC(CC1)CC2=CC=CC=C2)O

InChI

InChI=1S/C16H26N2O/c1-17-12-16(19)13-18-9-7-15(8-10-18)11-14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3/p+2/t16-/m0/s1