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

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]butan-2-yl]acetamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butan-2-yl]acetamide Traditional Name: N-[(1S)-1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2/c1-15(2)19-8-6-18(7-9-19)14-23-10-12-24(13-11-23)21(26)20(16(3)4)22-17(5)25/h6-9,15-16,20H,10-14H2,1-5H3,(H,22,25)/p+1/t20-/m0/s1