9-methyl-9-phenethyl-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazol-9-ium-3-amine

Systemtic Name: 9-methyl-9-phenethyl-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazol-9-ium-3-amine Openeye Name: 6-benzyloxy-9-methyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-9-ium-3-amine CAS Name: 9-methyl-9-phenethyl-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazol-9-ium-3-amine IUPAC Name: 9-methyl-9-phenethyl-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazol-9-ium-3-amine Traditional Name: (6-benzoxy-9-methyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-9-ium-3-yl)amine Formula: C28H31N2O+ MolecularWeight: 411.55854

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(CC(CC2)N)C3=C1C=CC(=C3)OCC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(C2=C(CC(CC2)N)C3=C1C=CC(=C3)OCC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H31N2O/c1-30(17-16-21-8-4-2-5-9-21)27-14-12-23(29)18-25(27)26-19-24(13-15-28(26)30)31-20-22-10-6-3-7-11-22/h2-11,13,15,19,23H,12,14,16-18,20,29H2,1H3/q+1