(6R)-1-cyclohexyl-4-(1H-indol-3-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-(1H-indol-3-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-(1H-indol-3-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-(1H-indol-3-ylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-(1H-indol-3-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-(1H-indol-3-ylmethyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=CNC4=CC=CC=C43)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=CNC4=CC=CC=C43)OCC5=CC=CC=N5

InChI

InChI=1S/C26H32N4O2/c31-26-18-29(15-20-14-28-25-12-5-4-11-24(20)25)16-23(32-19-21-8-6-7-13-27-21)17-30(26)22-9-2-1-3-10-22/h4-8,11-14,22-23,28H,1-3,9-10,15-19H2/p+1/t23-/m0/s1