7-[3-[1-(phenylmethyl)piperazin-1-ium-1-yl]propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde

Systemtic Name: 7-[3-[1-(phenylmethyl)piperazin-1-ium-1-yl]propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde Openeye Name: 7-[3-(1-benzylpiperazin-1-ium-1-yl)propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde CAS Name: 7-[1-oxo-3-[1-(phenylmethyl)-1-piperazin-1-iumyl]propyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxaldehyde IUPAC Name: 7-[3-(1-benzylpiperazin-1-ium-1-yl)propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde Traditional Name: 7-[3-(1-benzylpiperazin-1-ium-1-yl)propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde Formula: C24H30N3O3+ MolecularWeight: 408.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCC(=O)C2=CC3=C(C=C2)OCCN(C3)C=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1)(CCC(=O)C2=CC3=C(C=C2)OCCN(C3)C=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N3O3/c28-19-26-11-15-30-24-7-6-21(16-22(24)17-26)23(29)8-12-27(13-9-25-10-14-27)18-20-4-2-1-3-5-20/h1-7,16,19,25H,8-15,17-18H2/q+1