2-[(2S)-1-cyclopentyl-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-(1-phenethyl-4-piperidin-1-iumyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-1-ium-2-yl]ethanol Formula: C24H41N3O+2 MolecularWeight: 387.60184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H39N3O/c28-19-13-24-20-26(17-18-27(24)23-8-4-5-9-23)22-11-15-25(16-12-22)14-10-21-6-2-1-3-7-21/h1-3,6-7,22-24,28H,4-5,8-20H2/p+2/t24-/m0/s1