1-(1-adamantyl)-4-(4-chloranylnaphthalen-1-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-adamantyl)-4-(4-chloranylnaphthalen-1-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-[(4-chloro-1-naphthyl)sulfonyl]piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-[(4-chloro-1-naphthalenyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-chloronaphthalen-1-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-[(4-chloro-1-naphthyl)sulfonyl]piperazin-1-ium Formula: C24H30ClN2O2S+ MolecularWeight: 446.0252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C6=CC=CC=C65)Cl

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C6=CC=CC=C65)Cl

InChI

InChI=1S/C24H29ClN2O2S/c25-22-5-6-23(21-4-2-1-3-20(21)22)30(28,29)27-9-7-26(8-10-27)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-6,17-19H,7-16H2/p+1