4-(dimethylamino)-N-[2-(1-dodecylpyrrolidin-1-ium-3-yl)ethyl]benzamide bromide

Systemtic Name: 4-(dimethylamino)-N-[2-(1-dodecylpyrrolidin-1-ium-3-yl)ethyl]benzamide bromide Openeye Name: 4-(dimethylamino)-N-[2-(1-dodecylpyrrolidin-1-ium-3-yl)ethyl]benzamide bromide CAS Name: 4-(dimethylamino)-N-[2-(1-dodecyl-3-pyrrolidin-1-iumyl)ethyl]benzamide bromide IUPAC Name: 4-(dimethylamino)-N-[2-(1-dodecylpyrrolidin-1-ium-3-yl)ethyl]benzamide bromide Traditional Name: 4-(dimethylamino)-N-[2-(1-laurylpyrrolidin-1-ium-3-yl)ethyl]benzamide bromide Formula: C27H48BrN3O MolecularWeight: 510.59352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+]1CCC(C1)CCNC(=O)C2=CC=C(C=C2)N(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[NH+]1CCC(C1)CCNC(=O)C2=CC=C(C=C2)N(C)C.[Br-]

InChI

InChI=1S/C27H47N3O.BrH/c1-4-5-6-7-8-9-10-11-12-13-21-30-22-19-24(23-30)18-20-28-27(31)25-14-16-26(17-15-25)29(2)3;/h14-17,24H,4-13,18-23H2,1-3H3,(H,28,31);1H