1-[(R)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(R)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(R)-(2,4-dimethoxyphenyl)-[1-(2-thienylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(R)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(R)-(2,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(R)-(2,4-dimethoxyphenyl)-[1-(2-thenyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C21H27N6O3S+ MolecularWeight: 443.54248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)[NH+]4CCC(CC4)C(=O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H](C2=NN=NN2CC3=CC=CS3)[NH+]4CCC(CC4)C(=O)N)OC

InChI

InChI=1S/C21H26N6O3S/c1-29-15-5-6-17(18(12-15)30-2)19(26-9-7-14(8-10-26)20(22)28)21-23-24-25-27(21)13-16-4-3-11-31-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H2,22,28)/p+1/t19-/m1/s1