(4-azanyl-3-oxidanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-[2-(4-chlorophenyl)ethyl]-ethyl-(phenylcarbamoyl)azanium

Systemtic Name: (4-azanyl-3-oxidanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-[2-(4-chlorophenyl)ethyl]-ethyl-(phenylcarbamoyl)azanium Openeye Name: [3-amino-2-hydroxy-1-(phenylcarbamoyl)propyl]-[2-(4-chlorophenyl)ethyl]-ethyl-(phenylcarbamoyl)ammonium CAS Name: (4-amino-1-anilino-3-hydroxy-1-oxobutan-2-yl)-[anilino(oxo)methyl]-[2-(4-chlorophenyl)ethyl]-ethylammonium IUPAC Name: (4-amino-1-anilino-3-hydroxy-1-oxobutan-2-yl)-[2-(4-chlorophenyl)ethyl]-ethyl-(phenylcarbamoyl)azanium Traditional Name: [3-amino-2-hydroxy-1-(phenylcarbamoyl)propyl]-[2-(4-chlorophenyl)ethyl]-ethyl-(phenylcarbamoyl)ammonium Formula: C27H32ClN4O3+ MolecularWeight: 496.02098

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCC1=CC=C(C=C1)Cl)(C(C(CN)O)C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[N+](CCC1=CC=C(C=C1)Cl)(C(C(CN)O)C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C27H31ClN4O3/c1-2-32(18-17-20-13-15-21(28)16-14-20,27(35)31-23-11-7-4-8-12-23)25(24(33)19-29)26(34)30-22-9-5-3-6-10-22/h3-16,24-25,33H,2,17-19,29H2,1H3,(H-,30,31,34,35)/p+1