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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-6-methyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-heptan-3-ol Formula: C27H39ClNO2+ MolecularWeight: 445.05706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C27H38ClNO2/c1-4-31-25-14-10-23(11-15-25)27(30,17-16-21(2)3)26(20-29-18-6-5-7-19-29)22-8-12-24(28)13-9-22/h8-15,21,26,30H,4-7,16-20H2,1-3H3/p+1/t26-,27-/m1/s1