N-[1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-4-ethoxy-benzamide

Systemtic Name: N-[1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-4-ethoxy-benzamide Openeye Name: N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-4-ethoxy-benzamide CAS Name: N-[1-[(1-tert-butyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]-4-ethoxybenzamide IUPAC Name: N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-4-ethoxybenzamide Traditional Name: N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-4-ethoxy-benzamide Formula: C20H31N6O2+ MolecularWeight: 387.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=NN=NN3C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=NN=NN3C(C)(C)C

InChI

InChI=1S/C20H30N6O2/c1-5-28-17-8-6-15(7-9-17)19(27)21-16-10-12-25(13-11-16)14-18-22-23-24-26(18)20(2,3)4/h6-9,16H,5,10-14H2,1-4H3,(H,21,27)/p+1