N-(1-methylpiperidin-1-ium-4-yl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboximidate

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboximidate Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(2-thienylsulfonylamino)naphthalene-2-carboximidate CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-3-(thiophen-2-ylsulfonylamino)-2-naphthalenecarboximidate IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboximidate Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(2-thienylsulfonylamino)naphthalene-2-carboximidate Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N=C(C2=CC3=CC=CC=C3C=C2NS(=O)(=O)C4=CC=CS4)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N=C(C2=CC3=CC=CC=C3C=C2NS(=O)(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C21H23N3O3S2/c1-24-10-8-17(9-11-24)22-21(25)18-13-15-5-2-3-6-16(15)14-19(18)23-29(26,27)20-7-4-12-28-20/h2-7,12-14,17,23H,8-11H2,1H3,(H,22,25)