N-[(2S)-3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1S)-2-methyl-1-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]propyl]acetamide CAS Name: N-[(2S)-3-methyl-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2S)-3-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1S)-2-methyl-1-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]propyl]acetamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C19H29N3O2/c1-14(2)18(20-16(4)23)19(24)22-10-8-21(9-11-22)13-17-7-5-6-15(3)12-17/h5-7,12,14,18H,8-11,13H2,1-4H3,(H,20,23)/p+1/t18-/m0/s1