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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c30-25(29-16-12-23(13-17-29)19-22-9-5-2-6-10-22)20-24-26(31)27-14-18-28(24)15-11-21-7-3-1-4-8-21/h1-10,23-24H,11-20H2,(H,27,31)/p+1/t24-/m1/s1