(3S)-4-(naphthalen-2-ylmethyl)-3-[2-(1,2-oxazinan-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-4-(naphthalen-2-ylmethyl)-3-[2-(1,2-oxazinan-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3S)-4-(2-naphthylmethyl)-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3S)-4-(2-naphthalenylmethyl)-3-[2-(2-oxazinanyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3S)-4-(naphthalen-2-ylmethyl)-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3S)-3-[2-keto-2-(oxazinan-2-yl)ethyl]-4-(2-naphthylmethyl)piperazin-4-ium-2-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCON(C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCON(C1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H25N3O3/c25-20(24-10-3-4-12-27-24)14-19-21(26)22-9-11-23(19)15-16-7-8-17-5-1-2-6-18(17)13-16/h1-2,5-8,13,19H,3-4,9-12,14-15H2,(H,22,26)/p+1/t19-/m0/s1