(4R)-4-(azepan-1-ium-1-yl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-4-(azepan-1-ium-1-yl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(azepan-1-ium-1-yl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-4-(1-azepan-1-iumyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(azepan-1-ium-1-yl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(azepan-1-ium-1-yl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H26N2+2 MolecularWeight: 246.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(C[NH2+]C2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=CC2=C1[C@H](C[NH2+]C2)[NH+]3CCCCCC3

InChI

InChI=1S/C16H24N2/c1-13-7-6-8-14-11-17-12-15(16(13)14)18-9-4-2-3-5-10-18/h6-8,15,17H,2-5,9-12H2,1H3/p+2/t15-/m0/s1