5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C22H35N3O4S/c1-29-21-11-10-19(30(27,28)25-16-7-2-3-8-17-25)18-20(21)22(26)23-12-9-15-24-13-5-4-6-14-24/h10-11,18H,2-9,12-17H2,1H3,(H,23,26)/p+1