(2S)-N-(2-methylpropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methylpropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(isobutylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(2-methylpropylamino)-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-methylpropylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(isobutylcarbamoyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-14(2)13-19-18(24)20-17(23)15(3)21-9-11-22(12-10-21)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,19,20,23,24)/p+1/t15-/m0/s1