(2R)-2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-naphthalen-1-yl-propanamide

Systemtic Name: (2R)-2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-naphthalen-1-yl-propanamide Openeye Name: (2R)-2-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(1-naphthyl)propanamide CAS Name: (2R)-2-[4-[2-(butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(1-naphthalenyl)propanamide IUPAC Name: (2R)-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-N-naphthalen-1-ylpropanamide Traditional Name: (2R)-2-[4-[2-(butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(1-naphthyl)propionamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(C)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)[C@H](C)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H32N4O2/c1-3-4-12-24-22(28)17-26-13-15-27(16-14-26)18(2)23(29)25-21-11-7-9-19-8-5-6-10-20(19)21/h5-11,18H,3-4,12-17H2,1-2H3,(H,24,28)(H,25,29)/p+1/t18-/m1/s1