2-[4-[(2S)-2-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(2S)-2-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[(2S)-2-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(2S)-2-[[anilino(oxo)methyl]amino]-1-oxopropyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[(2S)-2-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[(2S)-2-(phenylcarbamoylamino)propanoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C19H30N5O3+ MolecularWeight: 376.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C(C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)[C@H](C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H29N5O3/c1-3-9-20-17(25)14-23-10-12-24(13-11-23)18(26)15(2)21-19(27)22-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,20,25)(H2,21,22,27)/p+1/t15-/m0/s1