4-[4-(carboxymethyl)-5-oxidanylidene-2-(phenoxymethyl)-1-(4-phenylbutyl)pyrrolidin-3-yl]butyl-trimethyl-azanium

Systemtic Name: 4-[4-(carboxymethyl)-5-oxidanylidene-2-(phenoxymethyl)-1-(4-phenylbutyl)pyrrolidin-3-yl]butyl-trimethyl-azanium Openeye Name: 4-[4-(carboxymethyl)-5-oxo-2-(phenoxymethyl)-1-(4-phenylbutyl)pyrrolidin-3-yl]butyl-trimethyl-ammonium CAS Name: 4-[4-(carboxymethyl)-5-oxo-2-(phenoxymethyl)-1-(4-phenylbutyl)-3-pyrrolidinyl]butyl-trimethylammonium IUPAC Name: 4-[4-(carboxymethyl)-5-oxo-2-(phenoxymethyl)-1-(4-phenylbutyl)pyrrolidin-3-yl]butyl-trimethylazanium Traditional Name: 4-[4-(carboxymethyl)-5-keto-2-(phenoxymethyl)-1-(4-phenylbutyl)pyrrolidin-3-yl]butyl-trimethyl-ammonium Formula: C30H43N2O4+ MolecularWeight: 495.67342

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCC1C(C(=O)N(C1COC2=CC=CC=C2)CCCCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C[N+](C)(C)CCCCC1C(C(=O)N(C1COC2=CC=CC=C2)CCCCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C30H42N2O4/c1-32(2,3)21-13-11-19-26-27(22-29(33)34)30(35)31(20-12-10-16-24-14-6-4-7-15-24)28(26)23-36-25-17-8-5-9-18-25/h4-9,14-15,17-18,26-28H,10-13,16,19-23H2,1-3H3/p+1