2-[(3-carbazol-9-yl-2-oxidanyl-propyl)azaniumyl]-4-methyl-pentanoate

Systemtic Name: 2-[(3-carbazol-9-yl-2-oxidanyl-propyl)azaniumyl]-4-methyl-pentanoate Openeye Name: 2-[(3-carbazol-9-yl-2-hydroxy-propyl)ammonio]-4-methyl-pentanoate CAS Name: 2-[[3-(9-carbazolyl)-2-hydroxypropyl]ammonio]-4-methylpentanoate IUPAC Name: 2-[(3-carbazol-9-yl-2-hydroxypropyl)azaniumyl]-4-methylpentanoate Traditional Name: 2-[(3-carbazol-9-yl-2-hydroxy-propyl)ammonio]-4-methyl-valerate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O

Isomeric SMILES

CC(C)CC(C(=O)[O-])[NH2+]CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O

InChI

InChI=1S/C21H26N2O3/c1-14(2)11-18(21(25)26)22-12-15(24)13-23-19-9-5-3-7-16(19)17-8-4-6-10-20(17)23/h3-10,14-15,18,22,24H,11-13H2,1-2H3,(H,25,26)