1-oxidanidyl-3-[1-(phenylmethyl)piperidin-4-yl]-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium

Systemtic Name: 1-oxidanidyl-3-[1-(phenylmethyl)piperidin-4-yl]-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium Openeye Name: 3-(1-benzyl-4-piperidyl)-1-oxido-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium CAS Name: 1-oxido-3-[1-(phenylmethyl)-4-piperidinyl]-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-oxido-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium Traditional Name: 3-(1-benzyl-4-piperidyl)-1-oxido-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-1-ium Formula: C25H34N2O MolecularWeight: 378.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC(CCC2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCC[N+]1(CC(CCC2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H34N2O/c1-2-18-27(28)20-24(13-12-23-10-6-7-11-25(23)27)22-14-16-26(17-15-22)19-21-8-4-3-5-9-21/h3-11,22,24H,2,12-20H2,1H3