azocan-1-yl-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone

Systemtic Name: azocan-1-yl-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone Openeye Name: azocan-1-yl-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]methanone CAS Name: 1-azocanyl-[2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methanone IUPAC Name: azocan-1-yl-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]methanone Traditional Name: azocan-1-yl-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]methanone Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H32N4O2/c28-23(27-11-7-2-1-3-8-12-27)21-19-29-22(24-21)18-26-15-13-25(14-16-26)17-20-9-5-4-6-10-20/h4-6,9-10,19H,1-3,7-8,11-18H2/p+1