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

Systemtic Name: (3R)-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(3-methoxypropyl)-1-piperidyl]-2-oxo-ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(3-methoxypropyl)-1-piperidinyl]-2-oxoethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(3-methoxypropyl)piperidino]ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

COCCCC1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O3/c1-29-17-5-8-20-10-14-26(15-11-20)22(27)18-21-23(28)24-12-16-25(21)13-9-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,24,28)/p+1/t21-/m1/s1