N-[2-(4-chlorophenyl)ethyl]methanamide; 1,4-dimethyl-1-oxidanidyl-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]methanamide; 1,4-dimethyl-1-oxidanidyl-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Openeye Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,4-dimethyl-1-oxido-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one CAS Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,4-dimethyl-1-oxido-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-2-piperazin-1-iumone IUPAC Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,4-dimethyl-1-oxido-5-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Traditional Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,4-dimethyl-1-oxido-5-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2-one Formula: C31H38ClN3O6 MolecularWeight: 584.10292

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)[N+](CC1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-].C1=CC(=CC=C1CCNC=O)Cl

Isomeric SMILES

CN1CC(=O)[N+](CC1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-].C1=CC(=CC=C1CCNC=O)Cl

InChI

InChI=1S/C22H28N2O5.C9H10ClNO/c1-23-13-21(25)24(2,26)14-18(23)10-15-6-8-16(9-7-15)17-11-19(27-3)22(29-5)20(12-17)28-4;10-9-3-1-8(2-4-9)5-6-11-7-12/h6-9,11-12,18H,10,13-14H2,1-5H3;1-4,7H,5-6H2,(H,11,12)