(Z,2S)-5-phenyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-pent-4-en-1-one

Systemtic Name: (Z,2S)-5-phenyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-pent-4-en-1-one Openeye Name: (Z,2S)-5-phenyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-pent-4-en-1-one CAS Name: (Z,2S)-5-phenyl-1-(1-piperazinyl)-2-(1-piperidin-1-iumyl)-4-penten-1-one IUPAC Name: (Z,2S)-5-phenyl-1-piperazin-1-yl-2-piperidin-1-ium-1-ylpent-4-en-1-one Traditional Name: (Z,2S)-5-phenyl-1-piperazino-2-piperidin-1-ium-1-yl-pent-4-en-1-one Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC=CC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C/C=C\C2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C20H29N3O/c24-20(23-16-12-21-13-17-23)19(22-14-5-2-6-15-22)11-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,19,21H,2,5-6,11-17H2/p+1/b10-7-/t19-/m0/s1