(2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(9-ethyl-3-carbazolyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C25H29N6O+ MolecularWeight: 429.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C51

InChI

InChI=1S/C25H28N6O/c1-3-31-22-8-5-4-7-20(22)21-17-19(9-10-23(21)31)28-24(32)18(2)29-13-15-30(16-14-29)25-26-11-6-12-27-25/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,32)/p+1/t18-/m0/s1