2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C25H36N3O4+ MolecularWeight: 442.57104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H35N3O4/c1-18(2)20-8-6-19(7-9-20)16-27-10-12-28(13-11-27)17-24(29)26-21-14-22(30-3)25(32-5)23(15-21)31-4/h6-9,14-15,18H,10-13,16-17H2,1-5H3,(H,26,29)/p+1