2,6-bis[(S)-cyano-morpholin-4-ium-4-yl-phenyl-methyl]benzenecarbonitrile

Systemtic Name: 2,6-bis[(S)-cyano-morpholin-4-ium-4-yl-phenyl-methyl]benzenecarbonitrile Openeye Name: 2,6-bis[(S)-cyano-morpholin-4-ium-4-yl-phenyl-methyl]benzonitrile CAS Name: 2,6-bis[(S)-cyano-(4-morpholin-4-iumyl)-phenylmethyl]benzonitrile IUPAC Name: 2,6-bis[(S)-cyano-morpholin-4-ium-4-yl-phenylmethyl]benzonitrile Traditional Name: 2,6-bis[(S)-cyano-morpholin-4-ium-4-yl-phenyl-methyl]benzonitrile Formula: C31H31N5O2+2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C#N)(C2=CC=CC=C2)C3=C(C(=CC=C3)C(C#N)(C4=CC=CC=C4)[NH+]5CCOCC5)C#N

Isomeric SMILES

C1COCC[NH+]1[C@@](C#N)(C2=CC=CC=C2)C3=C(C(=CC=C3)[C@](C#N)(C4=CC=CC=C4)[NH+]5CCOCC5)C#N

InChI

InChI=1S/C31H29N5O2/c32-22-27-28(30(23-33,25-8-3-1-4-9-25)35-14-18-37-19-15-35)12-7-13-29(27)31(24-34,26-10-5-2-6-11-26)36-16-20-38-21-17-36/h1-13H,14-21H2/p+2/t30-,31-/m0/s1