1-[(3-methylphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-(m-tolylmethyl)-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbenzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H24N2O2S/c1-18-5-4-6-19(15-18)17-23-11-13-24(14-12-23)27(25,26)22-10-9-20-7-2-3-8-21(20)16-22/h2-10,15-16H,11-14,17H2,1H3/p+1