1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-[methyl(3-thenyl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-23(14-18-9-12-27-16-18)20(25)15-24-10-7-19(8-11-24)21(26)22-13-17-5-3-2-4-6-17/h2-6,9,12,16,19H,7-8,10-11,13-15H2,1H3,(H,22,26)/p+1