3-[3-[2-(azocan-1-ium-1-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(azocan-1-ium-1-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(azocan-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(1-azocan-1-iumyl)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(azocan-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(azocan-1-ium-1-yl)acetyl]indol-1-yl]propionitrile Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C20H25N3O/c21-11-8-14-23-15-18(17-9-4-5-10-19(17)23)20(24)16-22-12-6-2-1-3-7-13-22/h4-5,9-10,15H,1-3,6-8,12-14,16H2/p+1