(2R)-1-(azepan-1-ium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-[2-(4-methoxyphenyl)-1-indolyl]-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol Traditional Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(C[NH+]4CCCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2C[C@H](C[NH+]4CCCCCC4)O

InChI

InChI=1S/C24H30N2O2/c1-28-22-12-10-19(11-13-22)24-16-20-8-4-5-9-23(20)26(24)18-21(27)17-25-14-6-2-3-7-15-25/h4-5,8-13,16,21,27H,2-3,6-7,14-15,17-18H2,1H3/p+1/t21-/m0/s1