methyl N-[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H20ClN3O3/c1-11(14(20)17-15(21)22-2)18-6-8-19(9-7-18)13-5-3-4-12(16)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,17,20,21)/p+1/t11-/m1/s1