(2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-phenyl-pentanamide

Systemtic Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-phenyl-pentanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-phenyl-pentanamide CAS Name: (2S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-phenylpentanamide IUPAC Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2-phenylpentanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-phenyl-valeramide Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)CC)C

InChI

InChI=1S/C24H33N3O/c1-4-9-22(20-10-7-6-8-11-20)24(28)25-21-12-13-23(19(3)18-21)27-16-14-26(5-2)15-17-27/h6-8,10-13,18,22H,4-5,9,14-17H2,1-3H3,(H,25,28)/p+1/t22-/m0/s1