1-oxidanidyl-3-[1-(phenylmethyl)piperidin-4-yl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-ium

Systemtic Name: 1-oxidanidyl-3-[1-(phenylmethyl)piperidin-4-yl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-ium Openeye Name: 3-(1-benzyl-4-piperidyl)-1-oxido-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-ium CAS Name: 1-oxido-3-[1-(phenylmethyl)-4-piperidinyl]-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-ium IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-oxido-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-ium Traditional Name: 3-(1-benzyl-4-piperidyl)-1-oxido-1-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-ium Formula: C26H36N2O MolecularWeight: 392.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC(CCCC2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCC[N+]1(CC(CCCC2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H36N2O/c1-2-19-28(29)21-25(13-8-12-24-11-6-7-14-26(24)28)23-15-17-27(18-16-23)20-22-9-4-3-5-10-22/h3-7,9-11,14,23,25H,2,8,12-13,15-21H2,1H3