(2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)ethanenitrile

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)ethanenitrile Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)acetonitrile CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(1H-indol-3-yl)acetonitrile IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)acetonitrile Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)acetonitrile Formula: C16H20N3+ MolecularWeight: 254.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C#N)C2=CNC3=CC=CC=C32

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C#N)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H19N3/c17-11-16(19-9-5-1-2-6-10-19)14-12-18-15-8-4-3-7-13(14)15/h3-4,7-8,12,16,18H,1-2,5-6,9-10H2/p+1/t16-/m0/s1