3-[3-azanyl-5-[4-[(E)-diazanylidenemethyl]phenyl]-1-methyl-4-pentanoyl-pyridin-1-ium-2-yl]propanoic acid

Systemtic Name: 3-[3-azanyl-5-[4-[(E)-diazanylidenemethyl]phenyl]-1-methyl-4-pentanoyl-pyridin-1-ium-2-yl]propanoic acid Openeye Name: 3-[3-amino-5-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-4-pentanoyl-pyridin-1-ium-2-yl]propanoic acid CAS Name: 3-[3-amino-5-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-4-(1-oxopentyl)-2-pyridin-1-iumyl]propanoic acid IUPAC Name: 3-[3-amino-5-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-methyl-4-pentanoylpyridin-1-ium-2-yl]propanoic acid Traditional Name: 3-[3-amino-5-[4-[(E)-hydrazonomethyl]phenyl]-1-methyl-4-valeryl-pyridin-1-ium-2-yl]propionic acid Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=[N+](C=C1C2=CC=C(C=C2)C=NN)C)CCC(=O)O)N

Isomeric SMILES

CCCCC(=O)C1=C(C(=[N+](C=C1C2=CC=C(C=C2)/C=N/N)C)CCC(=O)O)N

InChI

InChI=1S/C21H26N4O3/c1-3-4-5-18(26)20-16(15-8-6-14(7-9-15)12-24-23)13-25(2)17(21(20)22)10-11-19(27)28/h6-9,12-13H,3-5,10-11H2,1-2H3,(H4-,22,23,26,27,28)/p+1