(1R)-1-(4-ethoxyphenyl)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: (1R)-1-(4-ethoxyphenyl)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: (1R)-1-(4-ethoxyphenyl)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: (1R)-1-(4-ethoxyphenyl)-2-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: (1R)-1-(4-ethoxyphenyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: (1R)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-p-phenetyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCC3=C(C2C4=CC=C(C=C4)OCC)NC5=CC=CC=C35

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC3=C([C@H]2C4=CC=C(C=C4)OCC)NC5=CC=CC=C35

InChI

InChI=1S/C26H30N4O/c1-4-30-17-20(18(3)28-30)16-29-15-14-23-22-8-6-7-9-24(22)27-25(23)26(29)19-10-12-21(13-11-19)31-5-2/h6-13,17,26-27H,4-5,14-16H2,1-3H3/p+1/t26-/m1/s1