(2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(9-ethyl-3-carbazolyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4O)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4O)C5=CC=CC=C51

InChI

InChI=1S/C27H30N4O2/c1-3-31-23-9-5-4-8-21(23)22-18-20(12-13-24(22)31)28-27(33)19(2)29-14-16-30(17-15-29)25-10-6-7-11-26(25)32/h4-13,18-19,32H,3,14-17H2,1-2H3,(H,28,33)/p+1/t19-/m0/s1