(3S)-3-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-oxo-2-(4-phenethyl-1-piperidyl)ethyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-one CAS Name: (3S)-3-[2-oxo-2-(4-phenethyl-1-piperidinyl)ethyl]-4-(3-pyridinylmethyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-oxo-2-(4-phenethylpiperidin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3S)-3-[2-keto-2-(4-phenethylpiperidino)ethyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-one Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C[C@H]3C(=O)NCC[NH+]3CC4=CN=CC=C4

InChI

InChI=1S/C25H32N4O2/c30-24(28-14-10-21(11-15-28)9-8-20-5-2-1-3-6-20)17-23-25(31)27-13-16-29(23)19-22-7-4-12-26-18-22/h1-7,12,18,21,23H,8-11,13-17,19H2,(H,27,31)/p+1/t23-/m0/s1