2-methyl-5-(phenylmethyl)-5-propyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-2,5-diium

Systemtic Name: 2-methyl-5-(phenylmethyl)-5-propyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-2,5-diium Openeye Name: 5-benzyl-2-methyl-5-propyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-2,5-diium CAS Name: 2-methyl-5-(phenylmethyl)-5-propyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-2,5-diium IUPAC Name: 5-benzyl-2-methyl-5-propyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-2,5-diium Traditional Name: 5-benzyl-2-methyl-5-propyl-1,2,3,4-tetrahydropyrid[4,3-b]indole-2,5-diium Formula: C22H28N2+2 MolecularWeight: 320.47112

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C[NH+](CC2)C)C3=CC=CC=C31)CC4=CC=CC=C4

Isomeric SMILES

CCC[N+]1(C2=C(C[NH+](CC2)C)C3=CC=CC=C31)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N2/c1-3-15-24(17-18-9-5-4-6-10-18)21-12-8-7-11-19(21)20-16-23(2)14-13-22(20)24/h4-12H,3,13-17H2,1-2H3/q+1/p+1