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

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C26H38NO+ MolecularWeight: 380.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C26H37NO/c1-4-22-12-14-24(15-13-22)26(28,17-16-21(2)3)25(20-27-18-8-9-19-27)23-10-6-5-7-11-23/h5-7,10-15,21,25,28H,4,8-9,16-20H2,1-3H3/p+1/t25-,26-/m1/s1