4-(2-oxidanylidene-2-phenylazanyl-ethyl)-N-[(2S)-pentan-2-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2-oxidanylidene-2-phenylazanyl-ethyl)-N-[(2S)-pentan-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-anilino-2-oxo-ethyl)-N-[(1S)-1-methylbutyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(2-anilino-2-oxoethyl)-N-[(2S)-pentan-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-anilino-2-oxoethyl)-N-[(2S)-pentan-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-anilino-2-keto-ethyl)-N-[(1S)-1-methylbutyl]piperazin-4-ium-1-carboxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O2/c1-3-7-15(2)19-18(24)22-12-10-21(11-13-22)14-17(23)20-16-8-5-4-6-9-16/h4-6,8-9,15H,3,7,10-14H2,1-2H3,(H,19,24)(H,20,23)/p+1/t15-/m0/s1