1-(1-adamantyl)-4-(4-ethoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(4-ethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(4-ethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H32N2O3S/c1-2-27-20-3-5-21(6-4-20)28(25,26)24-9-7-23(8-10-24)22-14-17-11-18(15-22)13-19(12-17)16-22/h3-6,17-19H,2,7-16H2,1H3/p+1