4-[1-(3-ethanoyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(phenylmethyl)piperazin-1-ium-1-yl]butanal

Systemtic Name: 4-[1-(3-ethanoyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(phenylmethyl)piperazin-1-ium-1-yl]butanal Openeye Name: 4-[1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-benzyl-piperazin-1-ium-1-yl]butanal CAS Name: 4-[1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(phenylmethyl)-1-piperazin-1-iumyl]butanal IUPAC Name: 4-[1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-benzylpiperazin-1-ium-1-yl]butanal Traditional Name: 4-[1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-benzyl-piperazin-1-ium-1-yl]butyraldehyde Formula: C27H36N3O2+ MolecularWeight: 434.59364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(CC1)C=C(C=C2)[N+]3(CCN(CC3)CC4=CC=CC=C4)CCCC=O

Isomeric SMILES

CC(=O)N1CCC2=C(CC1)C=C(C=C2)[N+]3(CCN(CC3)CC4=CC=CC=C4)CCCC=O

InChI

InChI=1S/C27H36N3O2/c1-23(32)29-13-11-25-9-10-27(21-26(25)12-14-29)30(17-5-6-20-31)18-15-28(16-19-30)22-24-7-3-2-4-8-24/h2-4,7-10,20-21H,5-6,11-19,22H2,1H3/q+1