2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C24H39N4O5S+ MolecularWeight: 495.65526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H38N4O5S/c1-4-26(5-2)23(29)19-25-14-16-27(17-15-25)24(30)21-18-20(10-11-22(21)33-3)34(31,32)28-12-8-6-7-9-13-28/h10-11,18H,4-9,12-17,19H2,1-3H3/p+1