N-(1,3-benzodioxol-5-yl)-1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-keto-2-[methyl(2-thenyl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4S/c1-23(12-17-3-2-10-29-17)20(25)13-24-8-6-15(7-9-24)21(26)22-16-4-5-18-19(11-16)28-14-27-18/h2-5,10-11,15H,6-9,12-14H2,1H3,(H,22,26)/p+1