(3-chloranyl-4-morpholin-4-ium-4-yl-phenyl)-(pyridin-1-ium-3-ylmethyl)azanium

Systemtic Name: (3-chloranyl-4-morpholin-4-ium-4-yl-phenyl)-(pyridin-1-ium-3-ylmethyl)azanium Openeye Name: (3-chloro-4-morpholin-4-ium-4-yl-phenyl)-(pyridin-1-ium-3-ylmethyl)ammonium CAS Name: [3-chloro-4-(4-morpholin-4-iumyl)phenyl]-(3-pyridin-1-iumylmethyl)ammonium IUPAC Name: (3-chloro-4-morpholin-4-ium-4-ylphenyl)-(pyridin-1-ium-3-ylmethyl)azanium Traditional Name: (3-chloro-4-morpholin-4-ium-4-yl-phenyl)-(pyridin-1-ium-3-ylmethyl)ammonium Formula: C16H21ClN3O+3 MolecularWeight: 306.81044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)[NH2+]CC3=C[NH+]=CC=C3)Cl

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)[NH2+]CC3=C[NH+]=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3O/c17-15-10-14(19-12-13-2-1-5-18-11-13)3-4-16(15)20-6-8-21-9-7-20/h1-5,10-11,19H,6-9,12H2/p+3