N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-[4-(2H-1,2,3,4-tetrazol-1-ium-1-yl)phenoxy]ethanamide

Systemtic Name: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-[4-(2H-1,2,3,4-tetrazol-1-ium-1-yl)phenoxy]ethanamide Openeye Name: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-[4-(2H-tetrazol-1-ium-1-yl)phenoxy]acetamide CAS Name: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-[4-(2H-tetrazol-1-ium-1-yl)phenoxy]acetamide IUPAC Name: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-[4-(2H-tetrazol-1-ium-1-yl)phenoxy]acetamide Traditional Name: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-[4-(2H-tetrazol-1-ium-1-yl)phenoxy]acetamide Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC3=C(C=C2)NC=C3)C(=O)COC4=CC=C(C=C4)[N+]5=CN=NN5

Isomeric SMILES

C1CC1N(CC2=CC3=C(C=C2)NC=C3)C(=O)COC4=CC=C(C=C4)[N+]5=CN=NN5

InChI

InChI=1S/C21H20N6O2/c28-21(13-29-19-6-4-18(5-7-19)27-14-23-24-25-27)26(17-2-3-17)12-15-1-8-20-16(11-15)9-10-22-20/h1,4-11,14,17,22H,2-3,12-13H2/p+1