(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H29ClN2O3+2 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27ClN2O3/c1-25-20-14-18(15-23-7-8-24-9-11-26-12-10-24)13-19(22)21(20)27-16-17-5-3-2-4-6-17/h2-6,13-14,23H,7-12,15-16H2,1H3/p+2