(5S)-5-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1,5,6,7-tetrahydroindol-4-one

Systemtic Name: (5S)-5-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1,5,6,7-tetrahydroindol-4-one Openeye Name: (5S)-5-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1,5,6,7-tetrahydroindol-4-one CAS Name: (5S)-5-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1,5,6,7-tetrahydroindol-4-one IUPAC Name: (5S)-5-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1,5,6,7-tetrahydroindol-4-one Traditional Name: (5S)-5-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1,5,6,7-tetrahydroindol-4-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCC4=C(C3=O)C=CN4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCC4=C(C3=O)C=CN4

InChI

InChI=1S/C19H23N3O2/c1-24-18-5-3-2-4-16(18)21-10-12-22(13-11-21)17-7-6-15-14(19(17)23)8-9-20-15/h2-5,8-9,17,20H,6-7,10-13H2,1H3/p+1/t17-/m0/s1