3-[3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]indol-1-yl]propionitrile Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C25H27N3O/c26-13-6-14-28-18-23(22-9-4-5-10-24(22)28)25(29)19-27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-5,7-10,18,21H,6,11-12,14-17,19H2/p+1