N-tert-butyl-2-[4-[4-(2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(2-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H33N3O3/c1-17-8-5-6-9-18(17)27-15-7-10-20(26)24-13-11-23(12-14-24)16-19(25)22-21(2,3)4/h5-6,8-9H,7,10-16H2,1-4H3,(H,22,25)/p+1