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

Systemtic Name: 1-[(R)-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(R)-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]-(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(R)-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(R)-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]-(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(R)-(3,4-dimethoxyphenyl)-(1-piperonyltetrazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H29N6O5+ MolecularWeight: 481.52426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC4=C(C=C3)OCO4)[NH+]5CCC(CC5)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C2=NN=NN2CC3=CC4=C(C=C3)OCO4)[NH+]5CCC(CC5)C(=O)N)OC

InChI

InChI=1S/C24H28N6O5/c1-32-18-6-4-17(12-20(18)33-2)22(29-9-7-16(8-10-29)23(25)31)24-26-27-28-30(24)13-15-3-5-19-21(11-15)35-14-34-19/h3-6,11-12,16,22H,7-10,13-14H2,1-2H3,(H2,25,31)/p+1/t22-/m1/s1