cyclopropyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: cyclopropyl-(4-isopropylbenzyl)-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]ammonium Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C2CC2)C(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3

InChI

InChI=1S/C23H29N3O4/c1-15(2)18-7-5-17(6-8-18)14-25(19-9-10-19)16(3)23(27)24-21-13-20(26(28)29)11-12-22(21)30-4/h5-8,11-13,15-16,19H,9-10,14H2,1-4H3,(H,24,27)/p+1/t16-/m1/s1