3-[(R)-(4-methylphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-oxidanyl-2-phenyl-indole

Systemtic Name: 3-[(R)-(4-methylphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-oxidanyl-2-phenyl-indole Openeye Name: 1-hydroxy-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-(p-tolyl)methyl]-2-phenyl-indole CAS Name: 1-hydroxy-3-[(R)-(4-methylphenyl)-(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-phenylindole IUPAC Name: 1-hydroxy-3-[(R)-(4-methylphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenylindole Traditional Name: 1-hydroxy-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-(p-tolyl)methyl]-2-phenyl-indole Formula: C27H31N3O+2 MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N(C3=CC=CC=C32)O)C4=CC=CC=C4)[NH+]5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=C(N(C3=CC=CC=C32)O)C4=CC=CC=C4)[NH+]5CC[NH+](CC5)C

InChI

InChI=1S/C27H29N3O/c1-20-12-14-22(15-13-20)26(29-18-16-28(2)17-19-29)25-23-10-6-7-11-24(23)30(31)27(25)21-8-4-3-5-9-21/h3-15,26,31H,16-19H2,1-2H3/p+2/t26-/m1/s1