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1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name:1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium
Openeye Name:1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium
CAS Name:1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
IUPAC Name:1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
Traditional Name:1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium
Formula: C21H31N2O3S+
MolecularWeight: 391.54744
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5


Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5


InChI

InChI=1S/C21H30N2O3S/c1-26-19-2-4-20(5-3-19)27(24,25)23-8-6-22(7-9-23)21-17-11-15-10-16(13-17)14-18(21)12-15/h2-5,15-18,21H,6-14H2,1H3/p+1


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