(1R,2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1R,2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-2-(4-chloro-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-(m-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-2-(4-chloro-2-methylphenoxy)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-2-(4-chloro-2-methylphenoxy)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-2-(4-chloro-2-methyl-phenoxy)-1-(m-tolyl)-1-p-phenetyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C29H35ClNO3+ MolecularWeight: 481.0461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)(C(C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C2=CC=CC(=C2)C)([C@H](C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

InChI

InChI=1S/C29H34ClNO3/c1-4-33-26-13-10-23(11-14-26)29(32,24-9-7-8-21(2)18-24)28(20-31-16-5-6-17-31)34-27-15-12-25(30)19-22(27)3/h7-15,18-19,28,32H,4-6,16-17,20H2,1-3H3/p+1/t28-,29+/m0/s1