(3S)-1-[(4-chlorophenyl)methyl]-N-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-(1-phenethylpiperidin-1-ium-4-yl)amine Formula: C25H36ClN3+2 MolecularWeight: 414.02644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H34ClN3/c26-23-10-8-22(9-11-23)19-29-15-4-7-25(20-29)27-24-13-17-28(18-14-24)16-12-21-5-2-1-3-6-21/h1-3,5-6,8-11,24-25,27H,4,7,12-20H2/p+2/t25-/m0/s1