1-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde

Systemtic Name: 1-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: 1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]indole-3-carbaldehyde CAS Name: 1-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropyl]-3-indolecarboxaldehyde IUPAC Name: 1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropyl]indole-3-carbaldehyde Traditional Name: 1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propyl]indole-3-carbaldehyde Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](CN2C=C(C3=CC=CC=C32)C=O)O

InChI

InChI=1S/C18H24N2O2/c21-14-15-11-20(18-8-4-3-7-17(15)18)13-16(22)12-19-9-5-1-2-6-10-19/h3-4,7-8,11,14,16,22H,1-2,5-6,9-10,12-13H2/p+1/t16-/m0/s1