6-chloranyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium

Systemtic Name: 6-chloranyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium Openeye Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium CAS Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium IUPAC Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,3-benzoxazin-3-ium Traditional Name: 6-chloro-3-homoveratryl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Formula: C18H21ClNO3+ MolecularWeight: 334.81724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+]2CC3=C(C=CC(=C3)Cl)OC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+]2CC3=C(C=CC(=C3)Cl)OC2)OC

InChI

InChI=1S/C18H20ClNO3/c1-21-17-5-3-13(9-18(17)22-2)7-8-20-11-14-10-15(19)4-6-16(14)23-12-20/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1