N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-2-methyl-1-p-cumenyl-propyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C25H36N4O/c1-19(2)21-8-10-22(11-9-21)25(20(3)4)27-24(30)18-29-15-13-28(14-16-29)17-23-7-5-6-12-26-23/h5-12,19-20,25H,13-18H2,1-4H3,(H,27,30)/p+1/t25-/m0/s1