(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cycloheptyl-propanamide

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cycloheptyl-propanamide Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cycloheptyl-propanamide CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-cycloheptylpropanamide IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cycloheptylpropanamide Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cycloheptyl-propionamide Formula: C20H31ClN3O+ MolecularWeight: 364.93264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H30ClN3O/c1-16(20(25)22-18-8-4-2-3-5-9-18)23-11-13-24(14-12-23)19-10-6-7-17(21)15-19/h6-7,10,15-16,18H,2-5,8-9,11-14H2,1H3,(H,22,25)/p+1/t16-/m1/s1