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

Systemtic Name: (2S)-2-acetamido-3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]butanamide Openeye Name: (2S)-2-acetamido-3-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]butanamide CAS Name: (2S)-2-acetamido-3-methyl-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]butanamide IUPAC Name: (2S)-2-acetamido-3-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]butanamide Traditional Name: (2S)-2-acetamido-3-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]butyramide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C20H32N4O2/c1-15(2)19(22-17(4)25)20(26)21-8-9-23-10-12-24(13-11-23)18-7-5-6-16(3)14-18/h5-7,14-15,19H,8-13H2,1-4H3,(H,21,26)(H,22,25)/p+1/t19-/m0/s1