(2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(2,4-dimethylanilino)-oxomethyl]-2-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)[NH+]2CCN(CC2)C3=NC=CN=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=CN=C3)C

InChI

InChI=1S/C20H26N6O2/c1-14-4-5-17(15(2)12-14)23-20(28)24-19(27)16(3)25-8-10-26(11-9-25)18-13-21-6-7-22-18/h4-7,12-13,16H,8-11H2,1-3H3,(H2,23,24,27,28)/p+1/t16-/m0/s1