(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-N-(isopropylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-N-(isopropylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-13(2)19-18(24)20-17(23)14(3)21-9-11-22(12-10-21)15-5-7-16(25-4)8-6-15/h5-8,13-14H,9-12H2,1-4H3,(H2,19,20,23,24)/p+1/t14-/m0/s1