(2S,3S)-3-(4-chlorophenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-3-(4-chlorophenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-chlorophenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-chlorophenyl)-6-methyl-2-phenyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-chlorophenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-chlorophenyl)-6-methyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol Formula: C25H35ClNO+ MolecularWeight: 401.0045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=CC=C(C=C1)Cl)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CC[C@@](C1=CC=C(C=C1)Cl)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H34ClNO/c1-20(2)15-16-25(28,22-11-13-23(26)14-12-22)24(21-9-5-3-6-10-21)19-27-17-7-4-8-18-27/h3,5-6,9-14,20,24,28H,4,7-8,15-19H2,1-2H3/p+1/t24-,25-/m1/s1