3-[1-(phenylmethyl)piperidin-4-yl]-3-propyl-2,4-dihydro-1H-3-benzazepin-3-ium-5-one

Systemtic Name: 3-[1-(phenylmethyl)piperidin-4-yl]-3-propyl-2,4-dihydro-1H-3-benzazepin-3-ium-5-one Openeye Name: 3-(1-benzyl-4-piperidyl)-3-propyl-2,4-dihydro-1H-3-benzazepin-3-ium-5-one CAS Name: 3-[1-(phenylmethyl)-4-piperidinyl]-3-propyl-2,4-dihydro-1H-3-benzazepin-3-ium-5-one IUPAC Name: 3-(1-benzylpiperidin-4-yl)-3-propyl-2,4-dihydro-1H-3-benzazepin-3-ium-5-one Traditional Name: 3-(1-benzyl-4-piperidyl)-3-propyl-2,4-dihydro-1H-3-benzazepin-3-ium-5-one Formula: C25H33N2O+ MolecularWeight: 377.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC2=CC=CC=C2C(=O)C1)C3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC[N+]1(CCC2=CC=CC=C2C(=O)C1)C3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N2O/c1-2-17-27(18-14-22-10-6-7-11-24(22)25(28)20-27)23-12-15-26(16-13-23)19-21-8-4-3-5-9-21/h3-11,23H,2,12-20H2,1H3/q+1