tert-butyl-ethyl-[(Z,2R)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-but-3-en-2-yl]azanium

Systemtic Name: tert-butyl-ethyl-[(Z,2R)-1-oxidanylidene-4-phenyl-1-piperazin-1-yl-but-3-en-2-yl]azanium Openeye Name: tert-butyl-ethyl-[(Z,1R)-3-phenyl-1-(piperazine-1-carbonyl)allyl]ammonium CAS Name: tert-butyl-ethyl-[(Z,2R)-1-oxo-4-phenyl-1-(1-piperazinyl)but-3-en-2-yl]ammonium IUPAC Name: tert-butyl-ethyl-[(Z,2R)-1-oxo-4-phenyl-1-piperazin-1-ylbut-3-en-2-yl]azanium Traditional Name: tert-butyl-ethyl-[(Z,1R)-3-phenyl-1-(piperazine-1-carbonyl)allyl]ammonium Formula: C20H32N3O+ MolecularWeight: 330.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C=CC1=CC=CC=C1)C(=O)N2CCNCC2)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@H](/C=C\C1=CC=CC=C1)C(=O)N2CCNCC2)C(C)(C)C

InChI

InChI=1S/C20H31N3O/c1-5-23(20(2,3)4)18(12-11-17-9-7-6-8-10-17)19(24)22-15-13-21-14-16-22/h6-12,18,21H,5,13-16H2,1-4H3/p+1/b12-11-/t18-/m1/s1