3-(azepan-1-ium-1-ylmethyl)-N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]benzamide Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide CAS Name: 3-(1-azepan-1-iumylmethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]benzamide Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C(=O)NC3CS(=O)(=O)C=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C(=O)N[C@H]3CS(=O)(=O)C=C3

InChI

InChI=1S/C18H24N2O3S/c21-18(19-17-8-11-24(22,23)14-17)16-7-5-6-15(12-16)13-20-9-3-1-2-4-10-20/h5-8,11-12,17H,1-4,9-10,13-14H2,(H,19,21)/p+1/t17-/m1/s1