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

Systemtic Name: azepan-1-yl-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone Openeye Name: azepan-1-yl-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]methanone CAS Name: 1-azepanyl-[2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methanone IUPAC Name: azepan-1-yl-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]methanone Traditional Name: azepan-1-yl-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]oxazol-4-yl]methanone Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

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