3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-[(2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azanium

Systemtic Name: 3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-[(2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azanium Openeye Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-[(1R)-3-(3-methoxyanilino)-1-methyl-3-oxo-propyl]ammonium CAS Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-[(2R)-4-(3-methoxyanilino)-4-oxobutan-2-yl]ammonium IUPAC Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-[(2R)-4-(3-methoxyanilino)-4-oxobutan-2-yl]azanium Traditional Name: 3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-[(1R)-3-keto-3-(m-anisidino)-1-methyl-propyl]ammonium Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)OC)[NH2+]CCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

C[C@H](CC(=O)NC1=CC(=CC=C1)OC)[NH2+]CCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C18H24N6O2/c1-12(9-17(25)22-13-5-3-6-14(10-13)26-2)21-8-4-7-16-15(11-19)18(20)24-23-16/h3,5-6,10,12,21H,4,7-9H2,1-2H3,(H,22,25)(H3,20,23,24)/p+1/t12-/m1/s1