2-(dimethylamino)-5-(hexanoylamino)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 2-(dimethylamino)-5-(hexanoylamino)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 2-(dimethylamino)-5-(hexanoylamino)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 2-(dimethylamino)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-(1-oxohexylamino)benzamide IUPAC Name: 2-(dimethylamino)-5-(hexanoylamino)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 5-(caproylamino)-2-(dimethylamino)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H35N4O3+ MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C21H34N4O3/c1-4-5-6-7-20(26)23-17-8-9-19(24(2)3)18(16-17)21(27)22-10-11-25-12-14-28-15-13-25/h8-9,16H,4-7,10-15H2,1-3H3,(H,22,27)(H,23,26)/p+1