(3R)-3-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: (3R)-3-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: (3R)-3-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: (3R)-3-(1-azepan-1-iumylmethyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: (3R)-3-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: (3R)-3-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline Formula: C16H25N2+ MolecularWeight: 245.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2CC3=CC=CC=C3CN2

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H]2CC3=CC=CC=C3CN2

InChI

InChI=1S/C16H24N2/c1-2-6-10-18(9-5-1)13-16-11-14-7-3-4-8-15(14)12-17-16/h3-4,7-8,16-17H,1-2,5-6,9-13H2/p+1/t16-/m1/s1