(2S)-1-[3-[(E)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[3-[(E)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (3E)-1-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]indole-3-carbaldehyde oxime CAS Name: (3E)-1-[(2S)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-indolecarboxaldehyde oxime IUPAC Name: (2S)-1-[3-[(E)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (3E)-1-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]indole-3-carbaldehyde oxime Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(CN2C=C(C3=CC=CC=C32)C=NO)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](CN2C=C(C3=CC=CC=C32)/C=N/O)O

InChI

InChI=1S/C18H25N3O2/c1-14-6-8-20(9-7-14)12-16(22)13-21-11-15(10-19-23)17-4-2-3-5-18(17)21/h2-5,10-11,14,16,22-23H,6-9,12-13H2,1H3/p+1/b19-10+/t16-/m1/s1