1-(6-methoxynaphthalen-2-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(6-methoxynaphthalen-2-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(6-methoxy-2-naphthyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(6-methoxy-2-naphthalenyl)sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[(6-methoxy-2-naphthyl)sulfonyl]piperazin-1-ium Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3S/c1-27-21-9-7-20-16-22(10-8-19(20)15-21)28(25,26)24-13-11-23(12-14-24)17-18-5-3-2-4-6-18/h2-10,15-16H,11-14,17H2,1H3/p+1