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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c27-22(26-10-6-1-2-7-11-26)18-25-14-12-24(13-15-25)17-20-16-21(28-23-20)19-8-4-3-5-9-19/h3-5,8-9,16H,1-2,6-7,10-15,17-18H2/p+1