(2S)-2-acetamido-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide

Systemtic Name: (2S)-2-acetamido-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Openeye Name: (2S)-2-acetamido-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide CAS Name: (2S)-2-acetamido-3-methyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]butanamide IUPAC Name: (2S)-2-acetamido-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Traditional Name: (2S)-2-acetamido-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butyramide Formula: C19H31N4O2+ MolecularWeight: 347.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C19H30N4O2/c1-15(2)18(21-16(3)24)19(25)20-9-10-22-11-13-23(14-12-22)17-7-5-4-6-8-17/h4-8,15,18H,9-14H2,1-3H3,(H,20,25)(H,21,24)/p+1/t18-/m0/s1