3-[(R)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole

Systemtic Name: 3-[(R)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Openeye Name: 3-[(R)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole CAS Name: 3-[(R)-(5-chloro-2-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1H-indole IUPAC Name: 3-[(R)-(5-chloro-2-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1H-indole Traditional Name: 3-[(R)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Formula: C20H23ClN3O+ MolecularWeight: 356.86912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)[C@@H](C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4

InChI

InChI=1S/C20H22ClN3O/c1-25-19-7-6-14(21)12-16(19)20(24-10-8-22-9-11-24)17-13-23-18-5-3-2-4-15(17)18/h2-7,12-13,20,22-23H,8-11H2,1H3/p+1/t20-/m0/s1