1,3-benzodioxol-5-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[7-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C28H30N3O4+ MolecularWeight: 472.5555

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C28H29N3O4/c32-28(22-7-9-26-27(17-22)35-20-34-26)31-14-15-33-25-8-6-21(16-23(25)19-31)18-29-10-12-30(13-11-29)24-4-2-1-3-5-24/h1-9,16-17H,10-15,18-20H2/p+1