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

Systemtic Name: (3R)-3-[2-(4-methoxypiperidin-1-yl)-2-oxidanylidene-ethyl]-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-methoxy-1-piperidyl)-2-oxo-ethyl]-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-methoxy-1-piperidinyl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-methoxypiperidino)ethyl]-4-(4-phenylbenzyl)piperazin-4-ium-2-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-31-22-11-14-27(15-12-22)24(29)17-23-25(30)26-13-16-28(23)18-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10,22-23H,11-18H2,1H3,(H,26,30)/p+1/t23-/m1/s1