azepan-1-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone IUPAC Name: azepan-1-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C16H22N2O/c19-16(18-9-5-1-2-6-10-18)15-11-13-7-3-4-8-14(13)12-17-15/h3-4,7-8,15,17H,1-2,5-6,9-12H2/p+1/t15-/m1/s1