1-(furan-2-yl)-3-[[(2R)-1-oxidanylbutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-[[(2R)-1-oxidanylbutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-[[(1R)-1-(hydroxymethyl)propyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[[(2R)-1-hydroxybutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-[[(2R)-1-hydroxybutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-[[(1R)-1-methylolpropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

Isomeric SMILES

CC[C@H](CO)NC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

InChI

InChI=1S/C18H21N3O2/c1-2-12(11-22)20-18-15(10-19)13-6-3-4-7-14(13)17(21-18)16-8-5-9-23-16/h5,8-9,12,22H,2-4,6-7,11H2,1H3,(H,20,21)/p+1/t12-/m1/s1