(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]carbamic acid benzyl ester Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O3/c1-18(2)21(25-23(29)30-17-20-6-4-3-5-7-20)22(28)27-14-12-26(13-15-27)16-19-8-10-24-11-9-19/h3-11,18,21H,12-17H2,1-2H3,(H,25,29)/p+1/t21-/m0/s1