N-(3-methylbutyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-methylbutyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-isopentyl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methylbutyl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylbutyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-isoamyl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H29N3O3S/c1-17(2)9-10-22-21(25)16-23-11-13-24(14-12-23)28(26,27)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,15,17H,9-14,16H2,1-2H3,(H,22,25)/p+1