(2S)-2-[4-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2S)-2-[4-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2S)-2-[4-[3-(2-cyanoanilino)-3-oxo-propyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2S)-2-[4-[3-(2-cyanoanilino)-3-oxopropyl]-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2S)-2-[4-[3-(2-cyanoanilino)-3-oxopropyl]piperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2S)-2-[4-[3-(2-cyanoanilino)-3-keto-propyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H27N5O2/c1-15(20(27)22-17-6-7-17)25-12-10-24(11-13-25)9-8-19(26)23-18-5-3-2-4-16(18)14-21/h2-5,15,17H,6-13H2,1H3,(H,22,27)(H,23,26)/p+1/t15-/m0/s1