methyl-[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-nitroanilino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C22H28N4O3/c1-17(22(27)23-19-10-12-20(13-11-19)26(28)29)24(2)16-18-8-4-5-9-21(18)25-14-6-3-7-15-25/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,23,27)/p+1/t17-/m1/s1