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

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-methyl-N-(2,3,4-trimethoxybenzyl)acetamide Formula: C28H42N3O5+ MolecularWeight: 500.65018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC1=C(C(=C(C=C1)OC)OC)OC)C(=O)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H41N3O5/c1-29(17-22-5-6-23(34-2)26(36-4)25(22)35-3)24(32)18-30-7-9-31(10-8-30)27(33)28-14-19-11-20(15-28)13-21(12-19)16-28/h5-6,19-21H,7-18H2,1-4H3/p+1