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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-17(22(27)23-19-11-5-7-13-21(19)26(28)29)24(2)16-18-10-4-6-12-20(18)25-14-8-3-9-15-25/h4-7,10-13,17H,3,8-9,14-16H2,1-2H3,(H,23,27)/p+1/t17-/m0/s1