(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C18H25N3O3/c1-13(17(22)19-15-5-7-16(24-2)8-6-15)20-9-11-21(12-10-20)18(23)14-3-4-14/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1