(2S)-N-cyclopropyl-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-(4-isovalerylpiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H29N3O2/c1-15(2)14-18(24)22-10-12-23(13-11-22)19(16-6-4-3-5-7-16)20(25)21-17-8-9-17/h3-7,15,17,19H,8-14H2,1-2H3,(H,21,25)/p+1/t19-/m0/s1