(4-methoxycarbonyl-3-methyl-1-phenylazanyl-hexan-3-yl)-[(4-nitrophenyl)methyl]azanium chloride

Systemtic Name: (4-methoxycarbonyl-3-methyl-1-phenylazanyl-hexan-3-yl)-[(4-nitrophenyl)methyl]azanium chloride Openeye Name: [1-(2-anilinoethyl)-2-methoxycarbonyl-1-methyl-butyl]-[(4-nitrophenyl)methyl]ammonium chloride CAS Name: (1-anilino-4-methoxycarbonyl-3-methylhexan-3-yl)-[(4-nitrophenyl)methyl]ammonium chloride IUPAC Name: (1-anilino-4-methoxycarbonyl-3-methylhexan-3-yl)-[(4-nitrophenyl)methyl]azanium chloride Traditional Name: [1-(2-anilinoethyl)-2-carbomethoxy-1-methyl-butyl]-(4-nitrobenzyl)ammonium chloride Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)C(C)(CCNC1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCC(C(=O)OC)C(C)(CCNC1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C22H29N3O4.ClH/c1-4-20(21(26)29-3)22(2,14-15-23-18-8-6-5-7-9-18)24-16-17-10-12-19(13-11-17)25(27)28;/h5-13,20,23-24H,4,14-16H2,1-3H3;1H