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

Systemtic Name: 2-adamantyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-adamantyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-adamantyl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2-adamantyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-adamantyl-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C25H37N2O4+ MolecularWeight: 429.57228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3C4CC5CC(C4)CC3C5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3C4CC5CC(C4)CC3C5)OC)OC

InChI

InChI=1S/C25H36N2O4/c1-29-21-5-4-18(23(30-2)24(21)31-3)15-26-6-8-27(9-7-26)25(28)22-19-11-16-10-17(13-19)14-20(22)12-16/h4-5,16-17,19-20,22H,6-15H2,1-3H3/p+1