N-[2-(4-chlorophenyl)ethyl]methanamide; 1,1,4-trimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]methanamide; 1,1,4-trimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione Openeye Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,1,4-trimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione CAS Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,1,4-trimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione IUPAC Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,1,4-trimethyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,6-dione Traditional Name: N-[2-(4-chlorophenyl)ethyl]formamide; 1,1,4-trimethyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,6-quinone Formula: C32H39ClN3O6+ MolecularWeight: 597.12156

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)C.C1=CC(=CC=C1CCNC=O)Cl

Isomeric SMILES

CN1CC(=O)[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)C.C1=CC(=CC=C1CCNC=O)Cl

InChI

InChI=1S/C23H29N2O5.C9H10ClNO/c1-24-14-21(26)25(2,3)23(27)18(24)11-15-7-9-16(10-8-15)17-12-19(28-4)22(30-6)20(13-17)29-5;10-9-3-1-8(2-4-9)5-6-11-7-12/h7-10,12-13,18H,11,14H2,1-6H3;1-4,7H,5-6H2,(H,11,12)/q+1;