(4-tert-butylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C25H34N2O4/c1-25(2,3)20-10-7-18(8-11-20)24(28)27-15-13-26(14-16-27)17-19-9-12-21(29-4)23(31-6)22(19)30-5/h7-12H,13-17H2,1-6H3/p+1