(3R)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]piperazin-4-ium-2-one Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CC3C(=O)NCC[NH2+]3

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH2+]3

InChI

InChI=1S/C17H24N4O3/c1-24-14-4-2-3-13(11-14)20-7-9-21(10-8-20)16(22)12-15-17(23)19-6-5-18-15/h2-4,11,15,18H,5-10,12H2,1H3,(H,19,23)/p+1/t15-/m1/s1