N'-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide

Systemtic Name: N'-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide Openeye Name: N'-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide CAS Name: N'-(4-phenoxyphenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]butanediamide IUPAC Name: N'-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide Traditional Name: N'-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)succinamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c26-21(23-14-17-25-15-4-5-16-25)12-13-22(27)24-18-8-10-20(11-9-18)28-19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-17H2,(H,23,26)(H,24,27)/p+1