2-(azepan-1-ium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H29N3O3S/c26-22(18-23-11-5-1-2-6-12-23)24-13-15-25(16-14-24)29(27,28)21-10-9-19-7-3-4-8-20(19)17-21/h3-4,7-10,17H,1-2,5-6,11-16,18H2/p+1