(3R,4R)-1-cycloheptyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-cycloheptyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-cycloheptyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-cycloheptyl-4-(4-phenethyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-cycloheptyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-cycloheptyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C24H41N3O+2 MolecularWeight: 387.60184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)[NH+]2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H39N3O/c28-24-20-27(22-10-6-1-2-7-11-22)15-13-23(24)26-18-16-25(17-19-26)14-12-21-8-4-3-5-9-21/h3-5,8-9,22-24,28H,1-2,6-7,10-20H2/p+2/t23-,24-/m1/s1