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

Systemtic Name: (2S,3S)-3-(4-chloranyl-2-methyl-phenoxy)-2-(4-ethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-3-(4-chloro-2-methyl-phenoxy)-2-(4-ethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-3-(4-chloro-2-methylphenoxy)-2-(4-ethoxyphenyl)-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-3-(4-chloro-2-methylphenoxy)-2-(4-ethoxyphenyl)-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-3-(4-chloro-2-methyl-phenoxy)-2-p-phenetyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C23H31ClNO3+ MolecularWeight: 404.95014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)(C(C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C)([C@H](C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)C)O

InChI

InChI=1S/C23H30ClNO3/c1-4-27-20-10-7-18(8-11-20)23(3,26)22(16-25-13-5-6-14-25)28-21-12-9-19(24)15-17(21)2/h7-12,15,22,26H,4-6,13-14,16H2,1-3H3/p+1/t22-,23-/m0/s1