2-butyl-2-methyl-5-(phenylmethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium

Systemtic Name: 2-butyl-2-methyl-5-(phenylmethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium Openeye Name: 5-benzyl-2-butyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium CAS Name: 2-butyl-2-methyl-5-(phenylmethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium IUPAC Name: 5-benzyl-2-butyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium Traditional Name: 5-benzyl-2-butyl-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-2-ium Formula: C23H31N2+ MolecularWeight: 335.50564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC2C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4)C

Isomeric SMILES

CCCC[N+]1(CCC2C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4)C

InChI

InChI=1S/C23H31N2/c1-3-4-15-25(2)16-14-23-21(18-25)20-12-8-9-13-22(20)24(23)17-19-10-6-5-7-11-19/h5-13,21,23H,3-4,14-18H2,1-2H3/q+1