(4-chlorophenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C25H33ClN2O+2 MolecularWeight: 412.99532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H31ClN2O/c26-23-10-8-21(9-11-23)25(29)22-7-4-15-28(19-22)24-13-17-27(18-14-24)16-12-20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24H,4,7,12-19H2/p+2/t22-/m0/s1