(4-chlorophenyl)methyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: [(3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-[(4-chlorophenyl)methyl]ammonium CAS Name: (4-chlorophenyl)methyl-[(3S,4S)-3-phenyl-1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: [(3S,4S)-1-benzyl-3-phenylpiperidin-1-ium-4-yl]-[(4-chlorophenyl)methyl]azanium Traditional Name: [(3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-yl]-(4-chlorobenzyl)ammonium Formula: C25H29ClN2+2 MolecularWeight: 392.96416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH2+]CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]([C@H]1[NH2+]CC2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN2/c26-23-13-11-20(12-14-23)17-27-25-15-16-28(18-21-7-3-1-4-8-21)19-24(25)22-9-5-2-6-10-22/h1-14,24-25,27H,15-19H2/p+2/t24-,25+/m1/s1