1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-[(3-phenyl-5-isoxazolyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-[(3-phenylisoxazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanone Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c1-18-7-5-6-10-26(18)22(27)17-25-13-11-24(12-14-25)16-20-15-21(23-28-20)19-8-3-2-4-9-19/h2-4,8-9,15,18H,5-7,10-14,16-17H2,1H3/p+1/t18-/m0/s1