(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1-propanone IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1,3,4,5-tetrahydropyrid[4,3-b]indol-2-yl)propan-1-one Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)N3CCC4=C(C3)C5=CC=CC=C5N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)N3CCC4=C(C3)C5=CC=CC=C5N4)C

InChI

InChI=1S/C26H32N4O/c1-18-7-6-10-25(19(18)2)29-15-13-28(14-16-29)20(3)26(31)30-12-11-24-22(17-30)21-8-4-5-9-23(21)27-24/h4-10,20,27H,11-17H2,1-3H3/p+1/t20-/m1/s1