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

Systemtic Name: 1-[(2S)-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: 1-[(2S)-2-hydroxy-3-[4-(2-methylallyl)piperazin-4-ium-1-yl]propyl]indole-3-carbaldehyde CAS Name: 1-[(2S)-2-hydroxy-3-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]propyl]-3-indolecarboxaldehyde IUPAC Name: 1-[(2S)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]propyl]indole-3-carbaldehyde Traditional Name: 1-[(2S)-2-hydroxy-3-[4-(2-methylallyl)piperazin-4-ium-1-yl]propyl]indole-3-carbaldehyde Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-16(2)11-21-7-9-22(10-8-21)13-18(25)14-23-12-17(15-24)19-5-3-4-6-20(19)23/h3-6,12,15,18,25H,1,7-11,13-14H2,2H3/p+1/t18-/m0/s1