[2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[(1-cyano-4-methylcyclohexyl)-methylamino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[(1-cyano-4-methylcyclohexyl)-methylamino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-[(1-cyano-4-methyl-cyclohexyl)-methyl-amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)C[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)C[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H27N5O2/c1-15-8-10-21(14-22,11-9-15)26(3)19(27)13-25(2)12-18-23-17-7-5-4-6-16(17)20(28)24-18/h4-7,15H,8-13H2,1-3H3,(H,23,24,28)/p+1