4-(isoquinolin-5-ylmethyl)-1,4-oxazepan-4-ium

Systemtic Name: 4-(isoquinolin-5-ylmethyl)-1,4-oxazepan-4-ium Openeye Name: 4-(5-isoquinolylmethyl)-1,4-oxazepan-4-ium CAS Name: 4-(5-isoquinolinylmethyl)-1,4-oxazepan-4-ium IUPAC Name: 4-(isoquinolin-5-ylmethyl)-1,4-oxazepan-4-ium Traditional Name: 4-(5-isoquinolylmethyl)-1,4-oxazepan-4-ium Formula: C15H19N2O+ MolecularWeight: 243.32416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1C[NH+](CCOC1)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C15H18N2O/c1-3-13-11-16-6-5-15(13)14(4-1)12-17-7-2-9-18-10-8-17/h1,3-6,11H,2,7-10,12H2/p+1