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

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-6-methyl-2-phenyl-3-(4-propoxyphenyl)heptan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-6-methyl-2-phenyl-3-(4-propoxyphenyl)heptan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-6-methyl-2-phenyl-3-(4-propoxyphenyl)-3-heptanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-6-methyl-2-phenyl-3-(4-propoxyphenyl)heptan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-6-methyl-2-phenyl-3-(4-propoxyphenyl)heptan-3-ol Formula: C29H44NO2+ MolecularWeight: 438.66516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C29H43NO2/c1-4-22-32-27-16-14-26(15-17-27)29(31,19-18-24(2)3)28(25-12-8-7-9-13-25)23-30-20-10-5-6-11-21-30/h7-9,12-17,24,28,31H,4-6,10-11,18-23H2,1-3H3/p+1/t28-,29-/m1/s1