(3R,4R)-1-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C27H38N4O+2 MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCC(C(C3)O)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3CC[C@H]([C@@H](C3)O)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H36N4O/c1-21-24(23-9-5-6-10-25(23)28-21)19-30-14-12-26(27(32)20-30)31-17-15-29(16-18-31)13-11-22-7-3-2-4-8-22/h2-10,26-28,32H,11-20H2,1H3/p+2/t26-,27-/m1/s1