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

Systemtic Name: methyl N-[(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-12(15(20)17-16(21)23-3)18-7-9-19(10-8-18)13-5-4-6-14(11-13)22-2/h4-6,11-12H,7-10H2,1-3H3,(H,17,20,21)/p+1/t12-/m1/s1