(1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-2-phenyl-propan-1-ol

Systemtic Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-2-phenyl-propan-1-ol Openeye Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-2-phenyl-propan-1-ol CAS Name: (1S,2S)-3-(1-azepan-1-iumyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-2-phenyl-1-propanol IUPAC Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-2-phenylpropan-1-ol Traditional Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-2-phenyl-propan-1-ol Formula: C30H38NO2+ MolecularWeight: 444.62822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](C2=CC=CC=C2OC)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO2/c1-3-24-17-19-26(20-18-24)30(32,27-15-9-10-16-29(27)33-2)28(25-13-7-6-8-14-25)23-31-21-11-4-5-12-22-31/h6-10,13-20,28,32H,3-5,11-12,21-23H2,1-2H3/p+1/t28-,30+/m1/s1