3-[(R)-(4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1-oxidanidyl-2-phenyl-indole

Systemtic Name: 3-[(R)-(4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1-oxidanidyl-2-phenyl-indole Openeye Name: 3-[(R)-(4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1-oxido-2-phenyl-indole CAS Name: 3-[(R)-(4-methoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methyl]-1-oxido-2-phenylindole IUPAC Name: 3-[(R)-(4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1-oxido-2-phenylindole Traditional Name: 3-[(R)-(4-methoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1-oxido-2-phenyl-indole Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C2=CC=C(C=C2)OC)C3=C(N(C4=CC=CC=C43)[O-])C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C2=CC=C(C=C2)OC)C3=C(N(C4=CC=CC=C43)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H28N3O2/c1-28-16-18-29(19-17-28)26(21-12-14-22(32-2)15-13-21)25-23-10-6-7-11-24(23)30(31)27(25)20-8-4-3-5-9-20/h3-15,26H,16-19H2,1-2H3/q-1/p+1/t26-/m1/s1