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

Systemtic Name: 1-(1-adamantyl)-4-(4-methoxynaphthalen-1-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-adamantyl)-4-[(4-methoxy-1-naphthyl)sulfonyl]piperazin-1-ium CAS Name: 1-(1-adamantyl)-4-[(4-methoxy-1-naphthalenyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-(1-adamantyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-adamantyl)-4-[(4-methoxy-1-naphthyl)sulfonyl]piperazin-1-ium Formula: C25H33N2O3S+ MolecularWeight: 441.60612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H32N2O3S/c1-30-23-6-7-24(22-5-3-2-4-21(22)23)31(28,29)27-10-8-26(9-11-27)25-15-18-12-19(16-25)14-20(13-18)17-25/h2-7,18-20H,8-17H2,1H3/p+1