diethyl-(2-phenylazanylphenyl)carbonyl-[1-(phenylmethyl)pyrrolidin-3-yl]azanium

Systemtic Name: diethyl-(2-phenylazanylphenyl)carbonyl-[1-(phenylmethyl)pyrrolidin-3-yl]azanium Openeye Name: (2-anilinobenzoyl)-(1-benzylpyrrolidin-3-yl)-diethyl-ammonium CAS Name: [(2-anilinophenyl)-oxomethyl]-diethyl-[1-(phenylmethyl)-3-pyrrolidinyl]ammonium IUPAC Name: (2-anilinobenzoyl)-(1-benzylpyrrolidin-3-yl)-diethylazanium Traditional Name: (2-anilinobenzoyl)-(1-benzylpyrrolidin-3-yl)-diethyl-ammonium Formula: C28H34N3O+ MolecularWeight: 428.58906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C1CCN(C1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC4=CC=CC=C4

Isomeric SMILES

CC[N+](CC)(C1CCN(C1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O/c1-3-31(4-2,25-19-20-30(22-25)21-23-13-7-5-8-14-23)28(32)26-17-11-12-18-27(26)29-24-15-9-6-10-16-24/h5-18,25H,3-4,19-22H2,1-2H3/p+1