(2S)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2S)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2S)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2S)-2-[4-[(2-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2S)-2-[4-[(2-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2S)-2-[4-(2-cyanobenzyl)piperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C18H24N4O/c1-14(18(23)20-17-6-7-17)22-10-8-21(9-11-22)13-16-5-3-2-4-15(16)12-19/h2-5,14,17H,6-11,13H2,1H3,(H,20,23)/p+1/t14-/m0/s1