[4-cyano-1-(phenylmethyl)piperidin-1-ium-4-yl]-phenethyl-azanium

Systemtic Name: [4-cyano-1-(phenylmethyl)piperidin-1-ium-4-yl]-phenethyl-azanium Openeye Name: (1-benzyl-4-cyano-piperidin-1-ium-4-yl)-phenethyl-ammonium CAS Name: [4-cyano-1-(phenylmethyl)-4-piperidin-1-iumyl]-phenethylammonium IUPAC Name: (1-benzyl-4-cyanopiperidin-1-ium-4-yl)-phenethylazanium Traditional Name: (1-benzyl-4-cyano-piperidin-1-ium-4-yl)-phenethyl-ammonium Formula: C21H27N3+2 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C#N)[NH2+]CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1(C#N)[NH2+]CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3/c22-18-21(23-14-11-19-7-3-1-4-8-19)12-15-24(16-13-21)17-20-9-5-2-6-10-20/h1-10,23H,11-17H2/p+2