[2-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-3-methyl-pentanoyl]-oxidanylidene-(propylamino)azanium

Systemtic Name: [2-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-3-methyl-pentanoyl]-oxidanylidene-(propylamino)azanium Openeye Name: [2-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-3-methyl-pentanoyl]-oxo-(propylamino)ammonium CAS Name: [2-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-3-methyl-1-oxopentyl]-oxo-(propylamino)ammonium IUPAC Name: [2-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-3-methylpentanoyl]-oxo-(propylamino)azanium Traditional Name: [2-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-3-methyl-pentanoyl]-keto-(propylamino)ammonium Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCCN[N+](=O)C(=O)C(CC1CCCCC1)C(C)(CC)C2=CC(=CC=C2)O

Isomeric SMILES

CCCN[N+](=O)C(=O)C(CC1CCCCC1)C(C)(CC)C2=CC(=CC=C2)O

InChI

InChI=1S/C22H34N2O3/c1-4-14-23-24(27)21(26)20(15-17-10-7-6-8-11-17)22(3,5-2)18-12-9-13-19(25)16-18/h9,12-13,16-17,20H,4-8,10-11,14-15H2,1-3H3,(H-,23,25,27)/p+1