2-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C24H37N4O4S+ MolecularWeight: 477.63998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H36N4O4S/c29-23(26-11-4-3-5-12-26)20-25-15-17-27(18-16-25)24(30)21-9-8-10-22(19-21)33(31,32)28-13-6-1-2-7-14-28/h8-10,19H,1-7,11-18,20H2/p+1