(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C25H26ClN2O2+ MolecularWeight: 421.93914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN2O2/c1-29-24-14-19(13-22(26)25(24)30-17-18-7-3-2-4-8-18)15-27-12-11-20-16-28-23-10-6-5-9-21(20)23/h2-10,13-14,16,27-28H,11-12,15,17H2,1H3/p+1