(6-methoxypyridin-3-yl)-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium

Systemtic Name: (6-methoxypyridin-3-yl)-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1R)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-(6-methoxy-3-pyridyl)ammonium CAS Name: (6-methoxy-3-pyridinyl)-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-(6-methoxypyridin-3-yl)azanium Traditional Name: [(1R)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]-(6-methoxy-3-pyridyl)ammonium Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CN=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CN=C(C=C3)OC

InChI

InChI=1S/C20H26N4O2/c1-16(22-18-8-9-19(26-2)21-14-18)20(25)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14,16,22H,10-13,15H2,1-2H3/p+1/t16-/m1/s1