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3-methoxy-1-nonyl-N-(2H-1,2,3,4-tetrazol-5-yl)indol-1-ium-1-carboxamide

3-methoxy-1-nonyl-N-(2H-1,2,3,4-tetrazol-5-yl)indol-1-ium-1-carboxamide

Systemtic Name:3-methoxy-1-nonyl-N-(2H-1,2,3,4-tetrazol-5-yl)indol-1-ium-1-carboxamide
Openeye Name:3-methoxy-1-nonyl-N-(2H-tetrazol-5-yl)indol-1-ium-1-carboxamide
CAS Name:3-methoxy-1-nonyl-N-(2H-tetrazol-5-yl)-1-indol-1-iumcarboxamide
IUPAC Name:3-methoxy-1-nonyl-N-(2H-tetrazol-5-yl)indol-1-ium-1-carboxamide
Traditional Name:3-methoxy-1-nonyl-N-(2H-tetrazol-5-yl)indol-1-ium-1-carboxamide
Formula: C20H29N6O2+
MolecularWeight: 385.48326
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1(C=C(C2=CC=CC=C21)OC)C(=O)NC3=NNN=N3


Isomeric SMILES

CCCCCCCCC[N+]1(C=C(C2=CC=CC=C21)OC)C(=O)NC3=NNN=N3


InChI

InChI=1S/C20H28N6O2/c1-3-4-5-6-7-8-11-14-26(20(27)21-19-22-24-25-23-19)15-18(28-2)16-12-9-10-13-17(16)26/h9-10,12-13,15H,3-8,11,14H2,1-2H3,(H-,21,22,23,24,25,27)/p+1


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