(1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carbaldehyde

Systemtic Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carbaldehyde Openeye Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carbaldehyde CAS Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxaldehyde IUPAC Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carbaldehyde Traditional Name: (1R,3R)-1-hexyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carbaldehyde Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(CC([NH2+]1)C=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCCC[C@@H]1C2=C(C[C@@H]([NH2+]1)C=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H24N2O/c1-2-3-4-5-10-17-18-15(11-13(12-21)19-17)14-8-6-7-9-16(14)20-18/h6-9,12-13,17,19-20H,2-5,10-11H2,1H3/p+1/t13-,17-/m1/s1