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

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanone Formula: C16H25N3O+2 MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C16H23N3O/c1-18-7-4-8-19(10-9-18)16(20)15-11-13-5-2-3-6-14(13)12-17-15/h2-3,5-6,15,17H,4,7-12H2,1H3/p+2/t15-/m1/s1