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

Systemtic Name: 1-(1-adamantyl)-4-(4-propoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-(4-propoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-(4-propoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-propoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-(4-propoxyphenyl)sulfonyl-piperazin-1-ium Formula: C23H35N2O3S+ MolecularWeight: 419.6006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H34N2O3S/c1-2-11-28-21-3-5-22(6-4-21)29(26,27)25-9-7-24(8-10-25)23-15-18-12-19(16-23)14-20(13-18)17-23/h3-6,18-20H,2,7-17H2,1H3/p+1