1-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde

Systemtic Name: 1-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: 1-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]indole-3-carbaldehyde CAS Name: 1-[(2S)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-indolecarboxaldehyde IUPAC Name: 1-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]indole-3-carbaldehyde Traditional Name: 1-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]indole-3-carbaldehyde Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-14-6-8-19(9-7-14)11-16(22)12-20-10-15(13-21)17-4-2-3-5-18(17)20/h2-5,10,13-14,16,22H,6-9,11-12H2,1H3/p+1/t16-/m1/s1