N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-3-yl-3H-pyrazol-1-ium-5-yl]pentanamide

Systemtic Name: N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-3-yl-3H-pyrazol-1-ium-5-yl]pentanamide Openeye Name: N-[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-5-[1-(4-tert-butylphenyl)-3-(3-pyridyl)-3H-pyrazol-1-ium-5-yl]pentanamide CAS Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-(3-pyridinyl)-3H-pyrazol-1-ium-5-yl]pentanamide IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-tert-butylphenyl)-3-pyridin-3-yl-3H-pyrazol-1-ium-5-yl]pentanamide Traditional Name: N-[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-5-[1-(4-tert-butylphenyl)-3-(3-pyridyl)-3H-pyrazol-1-ium-5-yl]valeramide Formula: C32H38N5O3+ MolecularWeight: 540.67582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[N+]2=NC(C=C2CCCCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[N+]2=NC(C=C2CCCCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C32H37N5O3/c1-32(2,3)24-12-14-25(15-13-24)37-26(20-28(36-37)23-7-6-18-34-21-23)8-4-5-9-30(39)35-29(31(33)40)19-22-10-16-27(38)17-11-22/h6-7,10-18,20-21,28-29H,4-5,8-9,19H2,1-3H3,(H3-,33,35,38,39,40)/p+1