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

Systemtic Name: N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanediamide Openeye Name: N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanediamide CAS Name: N'-[(3-bromophenyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]pentanediamide IUPAC Name: N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pentanediamide Traditional Name: N'-(3-bromobenzyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)glutaramide Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O2/c19-16-6-3-5-15(13-16)14-21-18(24)8-4-7-17(23)20-9-12-22-10-1-2-11-22/h3,5-6,13H,1-2,4,7-12,14H2,(H,20,23)(H,21,24)/p+1