2-[2-azanyl-4,5-bis(chloranyl)phenyl]ethanoyl-methyl-(4-oxidanyl-4-oxidanylidene-butanoyl)-(1-phenyl-2-pyrrolidin-1-yl-ethyl)azanium

Systemtic Name: 2-[2-azanyl-4,5-bis(chloranyl)phenyl]ethanoyl-methyl-(4-oxidanyl-4-oxidanylidene-butanoyl)-(1-phenyl-2-pyrrolidin-1-yl-ethyl)azanium Openeye Name: [2-(2-amino-4,5-dichloro-phenyl)acetyl]-(4-hydroxy-4-oxo-butanoyl)-methyl-(1-phenyl-2-pyrrolidin-1-yl-ethyl)ammonium CAS Name: [2-(2-amino-4,5-dichlorophenyl)-1-oxoethyl]-(4-hydroxy-1,4-dioxobutyl)-methyl-[1-phenyl-2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [2-(2-amino-4,5-dichlorophenyl)acetyl]-(4-hydroxy-4-oxobutanoyl)-methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)azanium Traditional Name: [2-(2-amino-4,5-dichloro-phenyl)acetyl]-(4-hydroxy-4-keto-butanoyl)-methyl-(1-phenyl-2-pyrrolidino-ethyl)ammonium Formula: C25H30Cl2N3O4+ MolecularWeight: 507.4294

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(CN1CCCC1)C2=CC=CC=C2)(C(=O)CCC(=O)O)C(=O)CC3=CC(=C(C=C3N)Cl)Cl

Isomeric SMILES

C[N+](C(CN1CCCC1)C2=CC=CC=C2)(C(=O)CCC(=O)O)C(=O)CC3=CC(=C(C=C3N)Cl)Cl

InChI

InChI=1S/C25H29Cl2N3O4/c1-30(23(31)9-10-25(33)34,24(32)14-18-13-19(26)20(27)15-21(18)28)22(16-29-11-5-6-12-29)17-7-3-2-4-8-17/h2-4,7-8,13,15,22H,5-6,9-12,14,16,28H2,1H3/p+1