(2S)-N-cyclopropyl-2-[4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-[2-keto-2-(4-pyrrolidinoanilino)ethyl]piperazin-1-ium-1-yl]propionamide Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H33N5O2/c1-17(22(29)24-19-4-5-19)26-14-12-25(13-15-26)16-21(28)23-18-6-8-20(9-7-18)27-10-2-3-11-27/h6-9,17,19H,2-5,10-16H2,1H3,(H,23,28)(H,24,29)/p+1/t17-/m0/s1