(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-cyanoimino-[[4-(phenylmethyl)piperazin-1-yl]methyl]azanium

Systemtic Name: (6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-cyanoimino-[[4-(phenylmethyl)piperazin-1-yl]methyl]azanium Openeye Name: (4-benzylpiperazin-1-yl)methyl-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-cyanoimino-ammonium CAS Name: (6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-cyanoimino-[[4-(phenylmethyl)-1-piperazinyl]methyl]ammonium IUPAC Name: (4-benzylpiperazin-1-yl)methyl-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-cyanoiminoazanium Traditional Name: (4-benzylpiperazino)methyl-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-cyanoimino-ammonium Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](=NC#N)CN3CCN(CC3)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](=NC#N)CN3CCN(CC3)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C25H29N6O2/c1-25(2)24(32)23(21-14-20(15-26)8-9-22(21)33-25)31(28-17-27)18-30-12-10-29(11-13-30)16-19-6-4-3-5-7-19/h3-9,14,23-24,32H,10-13,16,18H2,1-2H3/q+1