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

Systemtic Name: 1-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: 1-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]indole-3-carbaldehyde CAS Name: 1-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propyl]-3-indolecarboxaldehyde IUPAC Name: 1-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]indole-3-carbaldehyde Traditional Name: 1-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]indole-3-carbaldehyde Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](CN2C=C(C3=CC=CC=C32)C=O)O

InChI

InChI=1S/C17H23N3O2/c1-18-6-8-19(9-7-18)11-15(22)12-20-10-14(13-21)16-4-2-3-5-17(16)20/h2-5,10,13,15,22H,6-9,11-12H2,1H3/p+1/t15-/m0/s1