2-methyl-5-(phenylmethyl)-5-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-ium

Systemtic Name: 2-methyl-5-(phenylmethyl)-5-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-ium Openeye Name: 5-benzyl-2-methyl-5-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-ium CAS Name: 2-methyl-5-(phenylmethyl)-5-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-ium IUPAC Name: 5-benzyl-2-methyl-5-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-ium Traditional Name: 5-benzyl-2-methyl-5-propyl-3,4-dihydro-1H-pyrid[4,3-b]indol-5-ium Formula: C22H27N2+ MolecularWeight: 319.46318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[N+]1(C2=C(CN(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