N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide

Systemtic Name: N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide Openeye Name: N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide CAS Name: N'-[(3-bromophenyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]butanediamide IUPAC Name: N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)butanediamide Traditional Name: N'-(3-bromobenzyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)succinamide Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CCC(=O)NCC2=CC(=CC=C2)Br

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CCC(=O)NCC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H24BrN3O2/c18-15-5-3-4-14(12-15)13-20-17(23)7-6-16(22)19-8-11-21-9-1-2-10-21/h3-5,12H,1-2,6-11,13H2,(H,19,22)(H,20,23)/p+1