[3-methyl-2-(pyridin-3-ylcarbonylamino)pentanoyl]-oxidanylidene-(3-phenoxypropyl)azanium

Systemtic Name: [3-methyl-2-(pyridin-3-ylcarbonylamino)pentanoyl]-oxidanylidene-(3-phenoxypropyl)azanium Openeye Name: [3-methyl-2-(pyridine-3-carbonylamino)pentanoyl]-oxo-(3-phenoxypropyl)ammonium CAS Name: [3-methyl-1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]pentyl]-oxo-(3-phenoxypropyl)ammonium IUPAC Name: [3-methyl-2-(pyridine-3-carbonylamino)pentanoyl]-oxo-(3-phenoxypropyl)azanium Traditional Name: keto-(3-methyl-2-nicotinamido-pentanoyl)-(3-phenoxypropyl)ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[N+](=O)CCCOC1=CC=CC=C1)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)[N+](=O)CCCOC1=CC=CC=C1)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-3-16(2)19(23-20(25)17-9-7-12-22-15-17)21(26)24(27)13-8-14-28-18-10-5-4-6-11-18/h4-7,9-12,15-16,19H,3,8,13-14H2,1-2H3/p+1