[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C23H28N4O/c1-18(23(28)25-21-12-6-4-10-19(21)16-24)26(2)17-20-11-5-7-13-22(20)27-14-8-3-9-15-27/h4-7,10-13,18H,3,8-9,14-15,17H2,1-2H3,(H,25,28)/p+1/t18-/m1/s1