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(2H-chromen-6-ylamino)-(oxan-4-yl)-(phenylmethyl)azanium; methanal; iodide

(2H-chromen-6-ylamino)-(oxan-4-yl)-(phenylmethyl)azanium; methanal; iodide

Systemtic Name:(2H-chromen-6-ylamino)-(oxan-4-yl)-(phenylmethyl)azanium; methanal; iodide
Openeye Name:benzyl-(2H-chromen-6-ylamino)-tetrahydropyran-4-yl-ammonium; formaldehyde; iodide
CAS Name:(2H-1-benzopyran-6-ylamino)-(4-oxanyl)-(phenylmethyl)ammonium; formaldehyde; iodide
IUPAC Name:benzyl-(2H-chromen-6-ylamino)-(oxan-4-yl)azanium; formaldehyde; iodide
Traditional Name:benzyl-(2H-chromen-6-ylamino)-tetrahydropyran-4-yl-ammonium; formaldehyde; iodide
Formula: C22H27IN2O3
MolecularWeight: 494.36585
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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1COCCC1[NH+](CC2=CC=CC=C2)NC3=CC4=C(C=C3)OCC=C4.[I-]


Isomeric SMILES

C=O.C1COCCC1[NH+](CC2=CC=CC=C2)NC3=CC4=C(C=C3)OCC=C4.[I-]


InChI

InChI=1S/C21H24N2O2.CH2O.HI/c1-2-5-17(6-3-1)16-23(20-10-13-24-14-11-20)22-19-8-9-21-18(15-19)7-4-12-25-21;1-2;/h1-9,15,20,22H,10-14,16H2;1H2;1H


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