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

Systemtic Name: N-[1-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-2-ethoxy-benzamide Openeye Name: N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-2-ethoxy-benzamide CAS Name: N-[1-[(1-cyclopentyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]-2-ethoxybenzamide IUPAC Name: N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-2-ethoxybenzamide Traditional Name: N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]-2-ethoxy-benzamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC3=NN=NN3C4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC3=NN=NN3C4CCCC4

InChI

InChI=1S/C21H30N6O2/c1-2-29-19-10-6-5-9-18(19)21(28)22-16-11-13-26(14-12-16)15-20-23-24-25-27(20)17-7-3-4-8-17/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,22,28)/p+1