(2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O2/c1-15-6-7-16(2)18(14-15)21-19(25)17(3)22-10-12-24(13-11-22)20(26)23-8-4-5-9-23/h6-7,14,17H,4-5,8-13H2,1-3H3,(H,21,25)/p+1/t17-/m0/s1